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Forschungsinfrastruktur des RRZE

Linux based HPC compute nodes with large main memory / High performance computer TinyFat
diverse: TinyFat-Cluster
Location: Erlangen

Linux based throughput computer / High performance computer Woody
diverse: Durchsatz-HPC-Cluster
Location: Erlangen

Linux based GPGPU computer / High performance computer TinyGPU
diverse: GPGPU-Cluster
Location: Erlangen

Linux based parallel computer / High performance computer Meggie
Megware: HPC-Cluster 2016 (Constr. year 2016)
Location: Erlangen

Linux based HPC compute nodes with large main memory / High performance computer TinyFat

TinyFat addresses applications with the demand for large main memory and has nodes with three different types:

8 nodes with 2x 2x Intel Xeon E5-2643 v4 (“Broadwell”) @3.4 GHz = 12 cores/24 threads and 256 GB main memory
3 nodes with 2x Intel Xeon E5-2680 v4 (“Broadwell”) @2.4 GHz = 28 cores/56 threads and 512 GB main memory
36 nodes with 2x AMD Rome 7502 @2.5 GHz = 64 cores/128 threads and 512 GM main memory

All nodes have been purchased/financed by specific groups or special projects. These users have priority access and nodes may be reserved exclusively for them.

https://hpc.fau.de/systems-services/systems-documentation-instructions/clusters/tinyfat-cluster/

Linux based throughput computer / High performance computer Woody

The RRZE’s "Woody" is the preferred cluster for serial/single-node throughput jobs.

The cluster has changed significantly over time. You can find more about the history in the section about history. The current hardware configuration looks like this:

70 compute nodes (w11xx nodes) with Xeon E3-1240 v3 CPUs („Haswell“, 4 cores, HT disabled, 3,4 GHz base frequency), 8 GB RAM, 1 TB HDD – from 09/2013
64 compute nodes (w12xx/w13xx nodes) with Xeon E3-1240 v5 CPUs („Skylake“, 4 cores, HT disabled, 3,5 GHz base frequency), 32 GB RAM, 1 TB HDD – from 04/2016 and 01/2017
112 compute nodes (w14xx/w15xx nodes) with Xeon E3-1240 v6 CPUs („Kaby Lake“, 4 cores, HT disabled, 3,7 GHz base frequency), 32 GB RAM, 960 GB SDD – from Q3/2019

https://www.hpc.fau.de/systems-services/systems-documentation-instructions/clusters/woody-cluster/

Linux based GPGPU computer / High performance computer TinyGPU

TinyGPU addresses the increasing demand for GPGPU-accelerated HPC systems and has nodes with six different types of GPUs (mostly of consumer type):

7 nodes with 2x Intel Xeon E5-2620v4 („Broadwell“, 8 Cores@2.1 GHz); 64 GB main memory; 4x NVIDIA Gefroce GTX 1080 (8 GB memory); 1.8 TB SSD
10 nodes with 2x Intel Xeon E5-2620v4 („Broadwell“, 8 Cores@2.1 GHz); 64 GB main memory; 4x NVIDIA Geforce GTX 1080Ti (11 GB memory); 1.8 TB SSD
12 nodes with 2x Intel Xeon Gold 6134 („Skylake“, 8 Cores@3.2 GHz); 96 GB main memory; 4x NVIDIA Geforce RTX 2080 Ti (11 GB memory); 1.8 TB SSD
4 nodes with 2x Intel Xeon Gold 6134 („Skylake“, 8 Cores@3.2 GHz); 96 GB main memory; 4x NVIDIA Tesla V100 (32 GB memory); 2.9 TB SSD
7 nodes with 2x Intel Xeon Gold 6226R („Cascadelake“, 16 Cores@2.9 GHz); 394 GB main memory; 8x NVIDIA Geforce RTX3080 (10 GB memory); 3,8 TB SSD
8 nodes with 2x AMD Epyc 7662 („Rome“, 64 Cores@2,0 GHz); 512 GB main memory; 4x NVIDIA A100 SXM4/Nvlink; 6,4 TB SSD

45 out of the 48 nodes have been purchased/financed by specific groups or special projects. These users have priority access and nodes may be reserved exclusively for them.

https://hpc.fau.de/systems-services/systems-documentation-instructions/clusters/tinygpu-cluster/

Linux based parallel computer / High performance computer Meggie

THE SYSTEM HAS BEEN DECOMISIONED IN FEBRUARY 2026 AFTER ALMOST 10 YEARS OF SUCCESSFUL OPERATION.

The RRZE’s Meggie cluster (manufacturer: Megware) is a high-performance compute resource with high speed interconnect. It is intended for distributed-memory (MPI) or hybrid parallel programs with medium to high communication requirements.

728 compute nodes, each with two Intel Xeon E5-2630v4 „Broadwell“ chips (10 cores per chip) running at 2.2 GHz with 25 MB Shared Cache per chip and 64 GB of RAM.
2 front end nodes with the same CPUs as the compute nodes but 128 GB of RAM.
Lustre-based parallel filesystem with a capacity of almost 1 PB and an aggregated parallel I/O bandwidth of > 9000 MB/s.
Intel OmniPath interconnect with up to 100 GBit/s bandwidth per link and direction.
Measured LINPACK performance of ~481 TFlop/s.

Meggie is a system that is designed for running parallel programs using significantly more than one node.

https://www.hpc.fau.de/systems-services/systems-documentation-instructions/clusters/meggie-cluster/

Publications using Meggie

Boonsawat P., Horn AHC., Steindl K., Baumer A., Joset P., Kraemer D., Bahr A., Ivanovski I., Cabello EM., Papik M., Zweier M., Oneda B., Sirleto P., Burkhardt T., Sticht H., Rauch A.:
Assessing clinical utility of preconception expanded carrier screening regarding residual risk for neurodevelopmental disorders
In: npj Genomic Medicine 7 (2022), Article No.: 45
ISSN: 2056-7944
DOI: 10.1038/s41525-022-00316-x
Patel T., Wagenhäuser A., Eibel C., Hönig T., Zeiser T., Tiwari D.:
What does Power Consumption Behavior of HPC Jobs Reveal?: Demystifying, Quantifying, and Predicting Power Consumption Characteristics
34th IEEE International Parallel and Distributed Processing Symposium, IPDPS 2020 (New Orleans, LA, 2020-05-18 - 2020-05-22)
In: Proceedings - 2020 IEEE 34th International Parallel and Distributed Processing Symposium, IPDPS 2020 2020
DOI: 10.1109/IPDPS47924.2020.00087
Taccardi N., Grabau M., Debuschewitz J., Distaso M., Brandl M., Hock R., Maier F., Papp C., Erhard J., Neiß C., Peukert W., Görling A., Steinrück HP., Wasserscheid P.:
Gallium-rich Pd-Ga phases as supported liquid metal catalysts
In: Nature chemistry 9 (2017), p. 862-867
ISSN: 1755-4349
DOI: 10.1038/nchem.2822
Kettner M., Maisel S., Stumm C., Schwarz M., Schuschke C., Görling A., Libuda J.:
Pd-Ga model SCALMS: Characterization and stability of Pd single atom sites
In: Journal of Catalysis 369 (2019), p. 33-46
ISSN: 0021-9517
DOI: 10.1016/j.jcat.2018.10.027
Turton J., Mölg T., Collier E.:
High-resolution (1 km) Polar WRF output for 79° N Glacier and the northeast of Greenland from 2014 to 2018
In: Earth System Science Data 12 (2020), p. 1191-1202
ISSN: 1866-3508
DOI: 10.5194/essd-12-1191-2020
URL: https://www.earth-syst-sci-data.net/12/1191/2020/essd-12-1191-2020.html
Conrad M., Söldner C., Miao Y., Sticht H.:
Agonist binding and g protein coupling in histamine h2 receptor: A molecular dynamics study
In: International Journal of Molecular Sciences 21 (2020), p. 1-18
ISSN: 1422-0067
DOI: 10.3390/ijms21186693
Sadeghi H., Döllinger M., Kaltenbacher M., Kniesburges S.:
Aerodynamic impact of the ventricular folds in computational larynx models
In: Journal of the Acoustical Society of America 145 (2019), p. 2376-2387
ISSN: 0001-4966
DOI: 10.1121/1.5098775
Schuschke C., Fromm L., Träg J., Stumm C., Hohner C., Eschenbacher R., Grau S., Zahn D., Görling A., Bauer T., Libuda J.:
A Molecular View of the Ionic Liquid Catalyst Interface of SCILLs: Coverage-Dependent Adsorption Motifs of [C4C1Pyr][NTf2] on Pd Single Crystals and Nanoparticles
In: Journal of Physical Chemistry C (2021)
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.1c02131
Höring C., Conrad M., Söldner C., Wang J., Sticht H., Strasser A., Miao Y.:
Specific engineered G protein coupling to histamine receptors revealed from cellular assay experiments and accelerated molecular dynamics simulations
In: International Journal of Molecular Sciences 22 (2021), Article No.: 10047
ISSN: 1422-0067
DOI: 10.3390/ijms221810047
Namakchian M., Kaßler K., Sticht H., Hensel M., Deiwick J.:
Structure-based functional analysis of effector protein SifA in living cells reveals motifs important for Salmonella intracellular proliferation
In: International Journal of Medical Microbiology 308 (2018), p. 84-96
ISSN: 1438-4221
DOI: 10.1016/j.ijmm.2017.09.004
Duchstein P., Ectors P., Zahn D.:
Molecular simulations of crystal growth: From understanding to tailoring
In: Advances in Inorganic Chemistry 73 (2019), p. 507-529
ISSN: 0898-8838
DOI: 10.1016/bs.adioch.2018.11.004
Trushin E., Fromm L., Görling A.:
Assessment of the exact-exchange-only Kohn-Sham method for the calculation of band structures for transition metal oxide and metal halide perovskites
In: Physical Review B 100 (2019)
ISSN: 0163-1829
DOI: 10.1103/PhysRevB.100.075205
Werner L., Rettinger C., Rüde U.:
Coupling fully resolved light particles with the lattice Boltzmann method on adaptively refined grids
In: International Journal For Numerical Methods in Fluids (2021)
ISSN: 0271-2091
DOI: 10.1002/fld.5034
Boonsawat P., Asadollahi R., Niedrist D., Steindl K., Begemann A., Joset P., Bhoj EJ., Li D., Zackai E., Vetro A., Barba C., Guerrini R., Whalen S., Keren B., Khan A., Jing D., Palomares Bralo M., Rikeros Orozco E., Hao Q., Schlott Kristiansen B., Zheng B., Donnelly D., Clowes V., Zweier M., Papik M., Siegel G., Sabatino V., Mocera M., Horn AH., Sticht H., Rauch A.:
Deleterious ZNRF3 germline variants cause neurodevelopmental disorders with mirror brain phenotypes via domain-specific effects on Wnt/β-catenin signaling
In: American Journal of Human Genetics (2024)
ISSN: 0002-9297
DOI: 10.1016/j.ajhg.2024.07.016
Sadeghi H., Kniesburges S., Falk S., Kaltenbacher M., Schützenberger A., Döllinger M.:
Towards a clinically applicable computational larynx model
In: Applied Sciences 9 (2019), Article No.: 2288
ISSN: 2076-3417
DOI: 10.3390/app9112288
Söldner C., Horn A., Sticht H.:
Binding of histamine to the H1 receptora molecular dynamics study
In: Journal of Molecular Modeling 24 (2018)
ISSN: 1610-2940
DOI: 10.1007/s00894-018-3873-7
Wonglakhon T., Maisel S., Görling A., Zahn D.:
An embedded atom model for Ga-Pd systems: From intermetallic crystals to liquid alloys
In: Journal of Chemical Physics 154 (2021), Article No.: 014109
ISSN: 0021-9606
DOI: 10.1063/5.0031185
Wassenaar T., Pluhackova K., Moussatova A., Sengupta D., Marrink SJ., Tieleman P., Böckmann R.:
High-throughput simulations of dimer and trimer assembly of membrane proteins. The DAFT approach
In: Journal of Chemical Theory and Computation 11 (2015), p. 2278-2291
ISSN: 1549-9618
DOI: 10.1021/ct5010092
Fliedner A., Gregor A., Ferrazzi F., Ekici AB., Sticht H., Zweier C.:
Loss of PHF6 leads to aberrant development of human neuron-like cells
In: Scientific Reports 10 (2020), Article No.: 19030
ISSN: 2045-2322
DOI: 10.1038/s41598-020-75999-2
Aouane O., Sega M., Baeuerlein B., Avila K., Harting J.:
Inertial focusing of a dilute suspension in pipe flow
In: Physics of Fluids (2022)
ISSN: 1070-6631
DOI: 10.1063/5.0111680
Brandner Giménez A., Bochicchio A., Huster D., Böckmann R.:
Effect of serotonin on membrane domain formation
In: European Biophysics Journal (2021), p. 168-168
ISSN: 0175-7571
Conrad M., Söldner C., Sticht H.:
Effect of Ions and Sequence Variants on the Antagonist Binding Properties of the Histamine H1 Receptor
In: International Journal of Molecular Sciences 23 (2022), Article No.: 1420
ISSN: 1422-0067
DOI: 10.3390/ijms23031420
Wittkämper H., Maisel S., Moritz M., Grabau M., Görling A., Steinrück HP., Papp C.:
Temperature-dependent XPS studies on Ga-In alloys through the melting-point
In: Surface Science 717 (2022), Article No.: 122008
ISSN: 0039-6028
DOI: 10.1016/j.susc.2021.122008
Sandmann A., Sticht H.:
Probing the role of intercalating protein sidechains for kink formation in DNA
In: PLoS ONE 13 (2018)
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0192605
Vintschger E., Kraemer D., Joset P., Horn A., Rauch A., Sticht H., Bachmann-Gagescu R.:
Challenges for the implementation of next generation sequencing-based expanded carrier screening: Lessons learned from the ciliopathies
In: European Journal of Human Genetics (2022)
ISSN: 1018-4813
DOI: 10.1038/s41431-022-01267-8
Ambekar AS., Schwarzmeier C., Rüde U., Buwa V.:
Particle‐resolved turbulent flow in a packed bed: RANS, LES, and DNS simulations
In: AIChE Journal (2022)
ISSN: 0001-1541
DOI: 10.1002/aic.17615
Kratzer E., Schötz S., Maisel S., Blaumeiser D., Khan Antara S., Ewald L., Dotzel D., Haumann M., Görling A., Korth W., Jess A., Retzer T.:
Wilkinson-type catalysts in ionic liquids for hydrogenation of small alkenes: understanding and improving catalyst stability
In: Catalysis: Science and Technology 13 (2023), p. 2053-2069
ISSN: 2044-4753
DOI: 10.1039/d2cy02058k
Söldner C., Horn A., Sticht H.:
Interaction of Glycolipids with the Macrophage Surface Receptor Mincle - a Systematic Molecular Dynamics Study
In: Scientific Reports 8 (2018)
ISSN: 2045-2322
DOI: 10.1038/s41598-018-23624-8
Konieczny A., Conrad M., Ertl FJ., Gleixner J., Gattor AO., Grätz L., Schmidt MF., Neu E., Horn A., Wifling D., Gmeiner P., Clark T., Sticht H., Keller M.:
N-Terminus to Arginine Side-Chain Cyclization of Linear Peptidic Neuropeptide y Y4Receptor Ligands Results in Picomolar Binding Constants
In: Journal of Medicinal Chemistry 64 (2021), p. 16746-16769
ISSN: 0022-2623
DOI: 10.1021/acs.jmedchem.1c01574
Grabau M., Erhard J., Taccardi N., Krick Calderon S., Wasserscheid P., Görling A., Steinrück HP., Papp C.:
Spectroscopic Observation and Molecular Dynamics Simulation of Ga Surface Segregation in Liquid Pd-Ga Alloys
In: Chemistry - A European Journal 23 (2017), p. 17701-17706
ISSN: 0947-6539
DOI: 10.1002/chem.201703627
Averdunk L., Sticht H., Surowy H., Luedecke HJ., Koch-Hogrebe M., Alsaif HS., Kahrizi K., Alzaidan H., Alawam BS., Tohary M., Kraus C., Endele S., Wadman E., Kaplan JD., Efthymiou S., Najmabadi H., Reis A., Alkuraya FS., Wieczorek D.:
The recurrent missense mutation p.(Arg367Trp) in YARS1 causes a distinct neurodevelopmental phenotype
In: Journal of Molecular Medicine (2021)
ISSN: 0946-2716
DOI: 10.1007/s00109-021-02124-9
Aillaud I., Kaniyappan S., Chandupatla RR., Ramirez LM., Alkhashrom S., Eichler J., Horn A., Zweckstetter M., Mandelkow E., Sticht H., Funke SA.:
A novel D-amino acid peptide with therapeutic potential (ISAD1) inhibits aggregation of neurotoxic disease-relevant mutant Tau and prevents Tau toxicity in vitro
In: Alzheimer's Research and Therapy 14 (2022)
ISSN: 1758-9193
DOI: 10.1186/s13195-022-00959-z
Andernach M., Turton J., Mölg T.:
Modeling cloud properties over the 79 N Glacier (Nioghalvfjerdsfjorden, NE Greenland) for an intense summer melt period in 2019
In: Quarterly Journal of the Royal Meteorological Society (2022)
ISSN: 0035-9009
DOI: 10.1002/qj.4374
Rettinger C., Eibl S., Rüde U., Vowinckel B.:
Rheology of mobile sediment beds in laminar shear flow: effects of creep and polydispersity
In: Journal of Fluid Mechanics 932 (2022), p. A1
ISSN: 0022-1120
DOI: 10.1017/jfm.2021.870
Raab R., Bohr A., Klede K., Gmeiner B., Eskofier B.:
Estimating Group Means Under Local Differential Privacy
In: Proceedings on Privacy Enhancing Technologies 2025 (2025), p. 236-274
ISSN: 2299-0984
DOI: 10.56553/popets-2025-0129
URL: https://petsymposium.org/popets/2025/popets-2025-0129.php
Kropac E., Mölg T., Cullen NJ., Collier E., Pickler C., Turton J.:
A Detailed, Multi-Scale Assessment of an Atmospheric River Event and Its Impact on Extreme Glacier Melt in the Southern Alps of New Zealand
In: Journal of Geophysical Research: Atmospheres 126 (2021), p. 1-27
ISSN: 2169-897X
DOI: 10.1029/2020JD034217
URL: https://agupubs.onlinelibrary.wiley.com/doi/full/10.1029/2020JD034217
Falk S., Kniesburges S., Janka RM., Grosso R., Becker S., Semmler M., Döllinger M.:
Computational hydrodynamics of a typical 3-fin surfboard setup
In: Journal of Fluids and Structures 90 (2019), p. 297-314
ISSN: 0889-9746
DOI: 10.1016/j.jfluidstructs.2019.07.006
Mölg T., Pickler C.:
A mid-troposphere perspective on the East African climate paradox
In: Environmental Research Letters 17 (2022), Article No.: 084041
ISSN: 1748-9318
DOI: 10.1088/1748-9326/ac8565
Pluhackova K., Sandoval Perez G., Böckmann R.:
A Critical Comparison of Biomembrane Force Fields: Protein-Lipid Interactions at the Membrane Interface.
In: Journal of Chemical Theory and Computation (2017)
ISSN: 1549-9618
DOI: 10.1021/acs.jctc.7b00001
Ge C., Weisse S., Xu B., Dobritzsch D., Viljanen J., Kihlberg J., Do NN., Schneider N., Lanig H., Holmdahl R., Burkhardt H.:
Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor
In: Annals of the Rheumatic Diseases (2022)
ISSN: 0003-4967
DOI: 10.1136/annrheumdis-2021-220500
Kropac E., Mölg T., Teichert S.:
The potential of coralline algae as SST proxy and for climate model evaluation: A New Zealand case study
EGU General Assembly 2022 (Wien, 2022-05-23 - 2022-05-27)
DOI: 10.5194/egusphere-egu22-6353
URL: https://meetingorganizer.copernicus.org/EGU22/EGU22-6353.html
Wassenaar T., Pluhackova K., Böckmann R., Marrink SJ., Tieleman P.:
Going backward: A flexible geometric approach to reverse transformation from coarse grained to atomistic models
In: Journal of Chemical Theory and Computation 10 (2014), p. 676-690
ISSN: 1549-9618
DOI: 10.1021/ct400617g
Seeling M., Pöhnl M., Kara S., Horstmann N., Riemer C., Wöhner M., Liang C., Brückner C., Eiring P., Werner A., Biburger M., Altmann L., Schneider M., Amon L., Lehmann C., Lee S., Kunz M., Dudziak D., Schett G., Bäuerle T., Lux A., Tuckermann J., Vögtle T., Nieswandt B., Sauer M., Böckmann R., Nimmerjahn F.:
Immunoglobulin G-dependent inhibition of inflammatory bone remodeling requires pattern recognition receptor Dectin-1
In: Immunity 56 (2023), p. 1046-1063.e7
ISSN: 1074-7613
DOI: 10.1016/j.immuni.2023.02.019
Rettinger C., Rüde U.:
An efficient four-way coupled lattice Boltzmann – discrete element method for fully resolved simulations of particle-laden flows
In: Journal of Computational Physics 453 (2022), Article No.: 110942
ISSN: 0021-9991
DOI: 10.1016/j.jcp.2022.110942
URL: https://www.sciencedirect.com/science/article/pii/S0021999122000043
Heymich ML., Friedlein U., Trollmann M., Schwaiger K., Böckmann R., Pischetsrieder M.:
Generation of antimicrobial peptides Leg1 and Leg2 from chickpea storage protein, active against food spoilage bacteria and foodborne pathogens
In: Food Chemistry 347 (2021), Article No.: 128917
ISSN: 0308-8146
DOI: 10.1016/j.foodchem.2020.128917
Temme F., Turton J., Mölg T., Sauter T.:
Flow Regimes and Föhn Types Characterize the Local Climate of Southern Patagonia
In: Atmosphere 11 (2020), p. 899
ISSN: 2073-4433
DOI: 10.3390/atmos11090899
Gerber CB., Fliedner A., Bartsch O., Berland S., Dewenter M., Haug M., Hayes I., Marin-Reina P., Mark PR., Martinez-Castellano F., Maystadt I., Karadurmus D., Steindl K., Wiesener A., Zweier M., Sticht H., Zweier C.:
Further characterization of Borjeson-Forssman-Lehmann syndrome in females due to de novo variants in PHF6
In: Clinical Genetics (2022)
ISSN: 0009-9163
DOI: 10.1111/cge.14173
Yang T., Yang J., Deng X., Franz E., Fromm L., Taccardi N., Liu Z., Görling A., Wasserscheid P., Brummel O., Libuda J.:
Modifying the Electrocatalytic Selectivity of Oxidation Reactions with Ionic Liquids
In: Angewandte Chemie International Edition (2022)
ISSN: 1433-7851
DOI: 10.1002/anie.202202957
Bochicchio A., Brandner A., Engberg O., Huster D., Böckmann R.:
Spontaneous Membrane Nanodomain Formation in the Absence or Presence of the Neurotransmitter Serotonin
In: Frontiers in Cell and Developmental Biology 8 (2020), Article No.: 601145
ISSN: 2296-634X
DOI: 10.3389/fcell.2020.601145
Hohner C., Fromm L., Schuschke C., Taccardi N., Xu T., Wasserscheid P., Görling A., Libuda J.:
Adsorption Motifs and Molecular Orientation at the Ionic Liquid/Noble Metal Interface: [C(2)C(1)Im][NTf2] on Pt(111)
In: Langmuir 37 (2021), p. 12596-12607
ISSN: 0743-7463
DOI: 10.1021/acs.langmuir.1c01900
Socher E., Conrad M., Heger L., Paulsen F., Sticht H., Zunke F., Arnold P.:
Mutations in the B.1.1.7 SARS-CoV-2 Spike Protein Reduce Receptor-Binding Affinity and Induce a Flexible Link to the Fusion Peptide
In: Biomedicines 9 (2021)
ISSN: 2227-9059
DOI: 10.3390/biomedicines9050525
URL: https://www.mdpi.com/2227-9059/9/5/525/xml
Peters B., Stein J., Klingl S., Sander N., Sandmann A., Taccardi N., Sticht H., Gerlach R., Muller Y., Hensel M.:
Structural and functional dissection reveals distinct roles of Ca2+-binding sites in the giant adhesin SiiE of Salmonella enterica
In: PLoS Pathogens 13 (2017), Article No.: e1006418
ISSN: 1553-7366
DOI: 10.1371/journal.ppat.1006418
URL: https://journals.plos.org/plospathogens/article?id=10.1371/journal.ppat.1006418
Reichstein J., Schötz S., Macht M., Maisel S., Stockinger N., Cuadrado Collados C., Schubert K., Blaumeiser D., Wintzheimer S., Görling A., Thommes M., Zahn D., Libuda J., Bauer T., Mandel K.:
Supraparticles for Bare-Eye H2 Indication and Monitoring: Design, Working Principle, and Molecular Mobility
In: Advanced Functional Materials 32 (2022), Article No.: 2112379
ISSN: 1616-301X
DOI: 10.1002/adfm.202112379
URL: https://onlinelibrary.wiley.com/doi/10.1002/adfm.202112379
Krumbholz M., Dolnik A., Sträng E., Ghete T., Skambraks S., Hutter S., Simonis A., Stegelmann F., Suttorp M., Horn A., Sticht H., Haferlach T., Bullinger L., Metzler M.:
A high proportion of germline variants in pediatric chronic myeloid leukemia
In: Molecular Cancer 23 (2024), Article No.: 206
ISSN: 1476-4598
DOI: 10.1186/s12943-024-02109-5
Appelhof B., Wagner M., Hoefele J., Heinze A., Roser T., Koch-Hogrebe M., Roosendaal SD., Dehghani M., Mehrjardi MYV., Torti E., Houlden H., Maroofian R., Rajabi F., Sticht H., Baas F., Wieczorek D., Abou Jamra R.:
Pontocerebellar hypoplasia due to bi-allelic variants in MINPP1
In: European Journal of Human Genetics 29 (2021), p. 411-421
ISSN: 1018-4813
DOI: 10.1038/s41431-020-00749-x
Saigger M., Sauter T., Schmid C., Collier E., Goger B., Kaser G., Prinz R., Voordendag A., Mölg T.:
A Drifting and Blowing Snow Scheme in the Weather Research and Forecasting Model
In: Journal of Advances in Modeling Earth Systems 16 (2024), Article No.: e2023MS004007
ISSN: 1942-2466
DOI: 10.1029/2023MS004007
Söldner C., Sticht H., Horn A.:
Role of the N-terminus for the stability of an amyloid-β fibril with three-fold symmetry
In: PLoS ONE 12 (2017)
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0186347
Bosch E., Güse E., Kirchner P., Winterpacht A., Walther M., Alders M., Kerkhof J., Ekici AB., Sticht H., Sadikovic B., Reis A., Vasileiou G.:
The missing link: ARID1B non-truncating variants causing Coffin-Siris syndrome due to protein aggregation
In: Human genetics (2024)
ISSN: 0340-6717
DOI: 10.1007/s00439-024-02688-9
Nanadikar MS., Vergel Leon AM., Guo J., van Belle GJ., Jatho A., Philip ES., Brandner A., Böckmann R., Shi R., Zieseniss A., Siemssen CM., Dettmer K., Brodesser S., Schmidtendorf M., Lee J., Wu H., Furdui CM., Brandenburg S., Burgoyne JR., Bogeski I., Riemer J., Chowdhury A., Rehling P., Bruegmann T., Belousov VV., Katschinski DM.:
IDH3γ functions as a redox switch regulating mitochondrial energy metabolism and contractility in the heart
In: Nature Communications 14 (2023), Article No.: 2123
ISSN: 2041-1723
DOI: 10.1038/s41467-023-37744-x
Socher E., Heger L., Paulsen F., Zunke F., Arnold P.:
Molecular dynamics simulations of the delta and omicron SARS-CoV-2 spike – ACE2 complexes reveal distinct changes between both variants
In: Computational and Structural Biotechnology Journal 20 (2022), p. 1168-1176
ISSN: 2001-0370
DOI: 10.1016/j.csbj.2022.02.015
Steiner C., Fromm L., Gebhardt J., LIU Y., Heidenreich A., Hammer N., Görling A., Kivala M., Maier S.:
Host guest chemistry and supramolecular doping in triphenylamine-based covalent frameworks on Au(111)
In: Nanoscale 13 (2021), p. 9798-9807
ISSN: 2040-3364
DOI: 10.1039/d0nr09140e
Falk S., Kniesburges S., Schoder S., Jakubaß B., Maurerlehner P., Echternach M., Kaltenbacher M., Döllinger M.:
3D-FV-FE Aeroacoustic Larynx Model for Investigation of Functional Based Voice Disorders
In: Frontiers in Physiology 12 (2021), Article No.: 616985
ISSN: 1664-042X
DOI: 10.3389/fphys.2021.616985
Schmitt J., Kuckuk S., Köstler H.:
EvoStencils: a grammar-based genetic programming approach for constructing efficient geometric multigrid methods
In: Genetic Programming and Evolvable Machines (2021)
ISSN: 1389-2576
DOI: 10.1007/s10710-021-09412-w
URL: http://link.springer.com/article/10.1007/s10710-021-09412-w
Becker S., Nusser K., Oswald M.:
Aero-Vibro-Acoustic Wind Noise-Simulation Based on the Flow around a Car
In: SAE Technical Papers (2016)
ISSN: 0148-7191
DOI: 10.4271/2016-01-1804
Platzer K., Sticht H., Bupp C., Ganapathi M., Pereira EM., Le Guyader G., Bilan F., Henderson LB., Lemke JR., Taschenberger H., Brose N., Abou Jamra R., Wojcik SM.:
De Novo Missense Variants in SLC32A1 Cause a Developmental and Epileptic Encephalopathy Due to Impaired GABAergic Neurotransmission
In: Annals of Neurology (2022)
ISSN: 0364-5134
DOI: 10.1002/ana.26485
Hanio S., Schlauersbach J., Lenz B., Spiegel F., Böckmann R., Schweins R., Nischang I., Schubert US., Endres S., Pöppler AC., Brandl FP., Smit TM., Kolter K., Meinel L.:
Drug-Induced Dynamics of Bile Colloids
In: Langmuir (2021)
ISSN: 0743-7463
DOI: 10.1021/acs.langmuir.0c02282
Wittkämper H., Maisel S., Wu M., Frisch J., Wilks RG., Grabau M., Spiecker E., Bär M., Görling A., Steinrück HP., Papp C.:
Oxidation induced restructuring of Rh-Ga SCALMS model catalyst systems
In: Journal of Chemical Physics 153 (2020), p. 104702-
ISSN: 0021-9606
DOI: 10.1063/5.0021647
Loh H., Raabgrund A., Schneider MA.:
Experimental Determination of Atomic Scale Structure and Energy-Level Alignment of C60 on CsPbBr3(001)
In: ACS nano (2025)
ISSN: 1936-0851
DOI: 10.1021/acsnano.4c17364
Sansotta S., Zahn D.:
Solvation structure and dynamics of Ag+ in aqueous ammonia solutions: A molecular simulation study
In: Journal of Chemical Physics 147 (2017), Article No.: 114506
ISSN: 0021-9606
DOI: 10.1063/1.5003654
Kirsch S., Böckmann R.:
Coupling of Membrane Nanodomain Formation and Enhanced Electroporation near Phase Transition
In: Biophysical Journal (2019)
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2019.04.024
Wittkämper H., Hock R., Weißer M., Dallmann J., Vogel C., Raman N., Tacardi N., Haumann M., Wasserscheid P., Hsieh TE., Maisel S., Moritz M., Wichmann C., Frisch J., Gorgoi M., Wilks RG., Bär M., Wu M., Spiecker E., Görling A., Unruh T., Steinrück HP., Papp C.:
Isolated Rh atoms in dehydrogenation catalysis
In: Scientific Reports 13 (2023), p. 4458-
ISSN: 2045-2322
DOI: 10.1038/s41598-023-31157-y
Raman N., Maisel S., Grabau M., Taccardi N., Debuschewitz J., Wolf M., Wittkämper H., Bauer T., Wu M., Haumann M., Papp C., Görling A., Spiecker E., Libuda J., Steinrück HP., Wasserscheid P.:
Highly Effective Propane Dehydrogenation Using Ga-Rh Supported Catalytically Active Liquid Metal Solutions
In: ACS Catalysis (2019), p. 9499-9507
ISSN: 2155-5435
DOI: 10.1021/acscatal.9b02459
Bauer T., Maisel S., Blaumeiser D., Vecchietti J., Taccardi N., Wasserscheid P., Bonivardi A., Görling A., Libuda J.:
Operando DRIFTS and DFT Study of Propane Dehydrogenation over Solid- and Liquid-Supported GaxPty Catalysts
In: ACS Catalysis 9 (2019), p. 2842-2853
ISSN: 2155-5435
DOI: 10.1021/acscatal.8b04578
Pröschel M., Kraner M., Horn A., Schäfer L., Sonnewald U., Sticht H.:
Probing the potential of CnaB-type domains for the design of tag/catcher systems
In: PLoS ONE 12 (2017)
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0179740
Söldner C., Horn A., Sticht H.:
A Metadynamics-Based Protocol for the Determination of GPCR-Ligand Binding Modes
In: International Journal of Molecular Sciences 20 (2019)
ISSN: 1422-0067
DOI: 10.3390/ijms20081970
Aouane O., Scagliarini A., Harting J.:
Structure and rheology of suspensions of spherical strain-hardening capsules
In: Journal of Fluid Mechanics 911 (2021), Article No.: A11
ISSN: 0022-1120
DOI: 10.1017/jfm.2020.1040
Beudert M., Hahn L., Horn A., Hauptstein N., Sticht H., Meinel L., Luxenhofer R., Gutmann M., Luehmann T.:
Merging bioresponsive release of insulin-like growth factor I with 3D printable thermogelling hydrogels
In: Journal of Controlled Release 347 (2022), p. 115-126
ISSN: 0168-3659
DOI: 10.1016/j.jconrel.2022.04.028
Klawonn A., Lanser M., Rheinbach O., Wellein G., Wittmann M.:
Energy efficiency of nonlinear domain decomposition methods
In: International Journal of High Performance Computing Applications (2020)
ISSN: 1094-3420
DOI: 10.1177/1094342020953891
Landshuter N., Mölg T., Grießinger J., Bräuning A., Peters T.:
10-year Characteristics of Moisture Source Regions and Their Potential Effect on Seasonal Isotopic Signatures of delta O-18 in Tropical Trees of Southern Ecuador
In: Frontiers in Earth Science 8 (2020)
ISSN: 2296-6463
DOI: 10.3389/feart.2020.604804
Gahbauer S., Pluhackova K., Böckmann R.:
Closely related, yet unique: Distinct homo- and heterodimerization patterns of G protein coupled chemokine receptors and their fine-tuning by cholesterol.
In: PLoS Computational Biology 14 (2018), p. e1006062
ISSN: 1553-734X
DOI: 10.1371/journal.pcbi.1006062
Adhikari R., Massicot S., Fromm L., Talwar T., Gezmis A., Meusel M., Bayer A., Jaekel S., Maier F., Görling A., Steinrück HP.:
Structure and Reactivity of the Ionic Liquid [C(1)C(1)Im][Tf2N] on Cu(111)
In: Topics in Catalysis (2023)
ISSN: 1022-5528
DOI: 10.1007/s11244-023-01801-y
Langheld A., Koziol J., Adelhardt P., Kapfer S., Schmidt KP.:
Scaling at quantum phase transitions above the upper critical dimension
In: SciPost Physics 13 (2022), Article No.: 088
ISSN: 2542-4653
DOI: 10.21468/SciPostPhys.13.4.088
Becher M., Krusche R., Tautz M., Mauss M., Springer N., Krömer F., Becker S.:
Influence of the Gap Flow of Axial Vehicle Cooling Fans on Radiated Narrowband and Broadband Noise
In: Acta Acustica United With Acustica 105 (2019), p. 435-448
ISSN: 1610-1928
DOI: 10.3813/AAA.919326
Pöhnl M., Kluge C., Böckmann R.:
Lipid Bicelles in the Study of Biomembrane Characteristics
In: Journal of Chemical Theory and Computation (2023)
ISSN: 1549-9618
DOI: 10.1021/acs.jctc.3c00085
Peters B., Stein J., Klingl S., Sander N., Sandmann A., Taccardi N., Sticht H., Gerlach RG., Muller Y., Hensel M.:
Structural and functional dissection reveals distinct roles of Ca2+-binding sites in the giant adhesin SiiE of Salmonella enterica
In: PLoS Pathogens 13 (2017), Article No.: e1006418
ISSN: 1553-7366
DOI: 10.1371/journal.ppat.1006418
Breuning C., Böhm J., Markl M., Körner C.:
High-Throughput Numerical Investigation of Process Parameter-Melt Pool Relationships in Electron Beam Powder Bed Fusion
In: Modelling 4 (2023), p. 336-350
ISSN: 2673-3951
DOI: 10.3390/modelling4030019
Schikarski T., Peukert W., Avila M.:
Direct numerical simulation of water–ethanol flows in a T-mixer
In: Chemical Engineering Journal 324 (2017), p. 168-181
ISSN: 1385-8947
DOI: 10.1016/j.cej.2017.04.119
Diewald B., Socher E., Söldner C., Sticht H.:
Conformational Dynamics of Herpesviral NEC Proteins in Different Oligomerization States
In: International Journal of Molecular Sciences 19 (2018)
ISSN: 1422-0067
DOI: 10.3390/ijms19102908
Schikarski T., Trzenschiok H., Peukert W., Avila M.:
Inflow boundary conditions determine T-mixer efficiency
In: Reaction Chemistry & Engineering 4 (2019), p. 559-568
ISSN: 2058-9883
DOI: 10.1039/c8re00208h
Malhis M., Kaniyappan S., Aillaud I., Chandupatla RR., Ramirez LM., Zweckstetter M., Horn A., Mandelkow E., Sticht H., Funke SA.:
Potent Tau Aggregation Inhibitor D-Peptides Selected against Tau-Repeat 2 Using Mirror Image Phage Display
In: ChemBioChem (2021)
ISSN: 1439-4227
DOI: 10.1002/cbic.202100287
Gahbauer S., Böckmann R.:
Comprehensive Characterization of Lipid-Guided G Protein-Coupled Receptor Dimerization.
In: Journal of Physical Chemistry B 124 (2020), p. 2823-2834
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.0c00062
Yang Z., Fromm L., Sander T., Gebhardt J., Schaub TA., Görling A., Kivala M., Maier S.:
On-Surface Assembly of Hydrogen- and Halogen-Bonded Supramolecular Graphyne-Like Networks
In: Angewandte Chemie International Edition (2020)
ISSN: 1433-7851
DOI: 10.1002/anie.201916708
Wittkämper H., Maisel S., Moritz M., Grabau M., Görling A., Steinrück HP., Papp C.:
Surface oxidation-induced restructuring of liquid Pd-Ga SCALMS model catalysts
In: Physical Chemistry Chemical Physics (2021)
ISSN: 1463-9076
DOI: 10.1039/d1cp02458b
Xiang F., Maisel S., Beniwal S., Akhmetov V., Ruppenstein C., Devarajulu M., Dörr A., Papaianina O., Görling A., Amsharov K., Maier S.:
Planar π-extended cycloparaphenylenes featuring an all-armchair edge topology
In: Nature Chemistry 1^4 (2022), p. 871-876
ISSN: 1755-4330
DOI: 10.1038/s41557-022-00968-3
Frieß M., Pluhackova K., Böckmann R.:
Structural Model of the mIgM B-Cell Receptor Transmembrane Domain From Self-Association Molecular Dynamics Simulations
In: Frontiers in Immunology 9 (2018), Article No.: 2947
ISSN: 1664-3224
DOI: 10.3389/fimmu.2018.02947
URL: https://www.frontiersin.org/articles/10.3389/fimmu.2018.02947/full
Sadeghi H., Kniesburges S., Kaltenbacher M., Schützenberger A., Döllinger M.:
Computational Models of Laryngeal Aerodynamics: Potentials and Numerical Costs
In: Journal of Voice 33 (2019), p. 385-400
ISSN: 0892-1997
DOI: 10.1016/j.jvoice.2018.01.001
Sarcletti M., Vivod D., Luchs T., Rejek T., Portilla Berlanga L., Müller L., Dietrich H., Hirsch A., Zahn D., Halik M.:
Superoleophilic Magnetic Iron Oxide Nanoparticles for Effective Hydrocarbon Removal from Water
In: Advanced Functional Materials (2019)
ISSN: 1616-301X
DOI: 10.1002/adfm.201805742
URL: https://onlinelibrary.wiley.com/doi/10.1002/adfm.201805742
Chachanidze RD., Aouane O., Harting J., Wagner C., Leonetti M.:
Margination of artificially stiffened red blood cells
In: Physical Review Fluids 9 (2024), Article No.: L091101
ISSN: 2469-990X
DOI: 10.1103/PhysRevFluids.9.L091101
Meier A., Bänsch E., Frank F.:
Schur preconditioning of the Stokes equations in channel-dominated domains
In: Computer Methods in Applied Mechanics and Engineering 398 (2022)
ISSN: 0045-7825
DOI: 10.1016/j.cma.2022.115264
Huraskin D., Horn A.:
Alkali ion influence on structure and stability of fibrillar amyloid-beta oligomers
In: Journal of Molecular Modeling 25 (2019), Article No.: 37
ISSN: 1610-2940
DOI: 10.1007/s00894-018-3920-4
Rettinger C., Rüde U.:
Dynamic Load Balancing Techniques for Particulate Flow Simulations
In: Computation 7 (2019)
ISSN: 2079-3197
DOI: 10.3390/computation7010009
URL: https://www.mdpi.com/2079-3197/7/1/9
Bauer U., Fromm L., Weiß C., Bachmann P., Späth F., Düll F., Steinhauer J., Hieringer W., Görling A., Hirsch A., Steinrück HP., Papp C.:
Controlled Catalytic Energy Release of the Norbornadiene/Quadricyclane Molecular Solar Thermal Energy Storage System on Ni(111)
In: Journal of Physical Chemistry C 123 (2019), p. 7654-7664
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.8b03746
Nusser K., Müller S., Scheit C., Oswald M., Becker S.:
Large Eddy Simulation of the Flow Around a Simplified Car Model
In: Direct and Large-Eddy Simulation X, Springer, 2017, p. 243--249 (ERCOFTAC Series, Vol.24)
ISBN: 978-3-319-63212-4
Bauer M., Eibl S., Godenschwager C., Kohl N., Kuron M., Rettinger C., Schornbaum F., Schwarzmeier C., Thönnes D., Köstler H., Rüde U.:
WALBERLA: A block-structured high-performance framework for multiphysics simulations
In: Computers & Mathematics with Applications (2020)
ISSN: 0898-1221
DOI: 10.1016/j.camwa.2020.01.007
Hilpert F., Liao PC., Franz E., Koch V., Fromm L., Topraksal E., Görling A., Smith AS., Barr M., Bachmann J., Brummel O., Libuda J.:
Mechanistic Insight into Solution-Based Atomic Layer Deposition of CuSCN Provided by In Situ and Ex Situ Methods
In: ACS Applied Materials and Interfaces (2023), p. 19536–19544
ISSN: 1944-8244
DOI: 10.1021/acsami.2c16943
Zanoni P., Steindl K., Sticht H., Oneda B., Joset P., Ivanovski I., Horn AH., Cabello EM., Laube J., Zweier M., Baumer A., Rauch A., Khan N.:
The genetic landscape and clinical implication of pediatric Moyamoya angiopathy in an international cohort
In: European Journal of Human Genetics (2023)
ISSN: 1018-4813
DOI: 10.1038/s41431-023-01320-0
Kicuntod J., Alkhashrom S., Häge S., Diewald B., Müller R., Hahn F., Lischka P., Sticht H., Eichler J., Marschall M.:
Properties of Oligomeric Interaction of the Cytomegalovirus Core Nuclear Egress Complex (NEC) and Its Sensitivity to an NEC Inhibitory Small Molecule
In: Viruses 13 (2021)
ISSN: 1999-4915
DOI: 10.3390/v13030462
Kataev E., Fromm L., Tariq Q., Wechsler D., Williams FJ., Tsud N., Franchi S., Steinrück HP., Görling A., Lytken O.:
Anchoring of phthalic acid on MgO(100)
In: Surface Science 720 (2022), Article No.: 122007
ISSN: 0039-6028
DOI: 10.1016/j.susc.2021.122007
Stanek M., Picard LP., Schmidt M., Kaindl J., Hübner H., Bouvier M., Weikert D., Gmeiner P.:
Hybridization of β-Adrenergic Agonists and Antagonists Confers G Protein Bias
In: Journal of Medicinal Chemistry 62 (2019), p. 5111-5131
ISSN: 0022-2623
DOI: 10.1021/acs.jmedchem.9b00349
Alvermann A., Basermann A., Bungartz HJ., Carbogno C., Ernst D., Fehske H., Futamura Y., Galgon M., Hager G., Huber S., Huckle T., Ida A., Imakura A., Kawai M., Köcher S., Kreutzer M., Kus P., Lang B., Lederer H., Manin V., Marek A., Nakajima K., Nemec L., Reuter K., Rippl M., Röhrig-Zöllner M., Sakurai T., Scheffler M., Scheurer C., Shahzad F., Simoes Brambila D., Thies J., Wellein G.:
Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects
In: Japan Journal of Industrial and Applied Mathematics (2019)
ISSN: 0916-7005
DOI: 10.1007/s13160-019-00360-8
Fickenscher G., Fromm L., Görling A., Libuda J.:
Atomic Layer Deposition of HfS2 on Oxide Interfaces: A Model Study on the Initial Nucleation Processes
In: Journal of Physical Chemistry C 126 (2022), p. 21596-21605
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.2c06293
Nusser K., Becker S.:
Numerical investigation of the fluid structure acoustics interaction on a simplified car model
In: Acta Acustica 5 (2021), p. 22
ISSN: 2681-4617
DOI: 10.1051/aacus/2021014
URL: https://acta-acustica.edpsciences.org/articles/aacus/abs/2021/01/aacus200068/aacus200068.html
Socher E., Conrad M., Heger L., Paulsen F., Sticht H., Zunke F., Arnold P.:
Computational decomposition reveals reshaping of the SARS‐CoV‐2–ACE2 interface among viral variants expressing the N501Y mutation
In: Journal of Cellular Biochemistry (2021)
ISSN: 0730-2312
DOI: 10.1002/jcb.30142
Collier E., Mölg T.:
BAYWRF: A high-resolution present-day climatological atmospheric dataset for Bavaria
In: Earth System Science Data 12 (2020), p. 3097-3112
ISSN: 1866-3508
DOI: 10.5194/essd-12-3097-2020
Bauer U., Fromm L., Weiß C., Späth F., Bachmann P., Düll F., Steinhauer J., Matysik S., Pominov A., Görling A., Hirsch A., Steinrück HP., Papp C.:
Surface chemistry of 2,3-dibromosubstituted norbornadiene/quadricyclane as molecular solar thermal energy storage system on Ni(111)
In: Journal of Chemical Physics 150 (2019), Article No.: 184706
ISSN: 0021-9606
DOI: 10.1063/1.5095583
Mölg T., R. Hardy D., Collier E., Kropac E., Schmid C., J. Cullen N., Kaser G., Prinz R., Winkler M.:
Mesoscale atmospheric circulation controls of local meteorological elevation gradients on Kersten Glacier near Kilimanjaro summit
In: Earth System Dynamics 11 (2020), p. 653-672
ISSN: 2190-4979
DOI: 10.5194/esd-11-653-2020
Rohracker M., Kumar P., Mergheim J.:
A comparative assessment of different adaptive spatial refinement strategies in phase-field fracture models for brittle fracture
In: Forces in Mechanics 10 (2023), p. 100157
ISSN: 2666-3597
DOI: 10.1016/j.finmec.2022.100157
URL: https://www.sciencedirect.com/science/article/pii/S2666359722000853
Xu J., Hu Y., Kaindl J., Risel P., Hübner H., Maeda S., Niu X., Li H., Gmeiner P., Jin C., Kobilka BK.:
Conformational Complexity and Dynamics in a Muscarinic Receptor Revealed by NMR Spectroscopy
In: Molecular Cell 75 (2019), p. 53-65.e7
ISSN: 1097-2765
DOI: 10.1016/j.molcel.2019.04.028

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Publications using Woody

Sahlmann H., Sherif W.:
Towards quantum gravity with neural networks: solving quantum Hamilton constraints of 3d Euclidean gravity in the weak coupling limit
In: Classical and Quantum Gravity 41 (2024), Article No.: 215006
ISSN: 0264-9381
DOI: 10.1088/1361-6382/ad7c14
Grau B., Bönisch S., Neuhauser A., Hampel F., Görling A., Tsogoeva S.:
Facile Access to Challenging ortho-Terphenyls via Merging Two Multi-Step Domino Reactions in One-Pot: A Joint Experimental/Theoretical Study
In: ChemCatChem (2019)
ISSN: 1867-3880
DOI: 10.1002/cctc.201900746
Brabec T., Dinh PM., Gao C., McDonald C., Reinhard PG., Suraud É.:
Physical mechanisms encoded in photoionization yield from IR+XUV setups
In: European Physical Journal D 73 (2019), Article No.: 212
ISSN: 1434-6060
DOI: 10.1140/epjd/e2019-90507-4
Wang J., Mbah Chrameh F., Przybilla T., Englisch S., Spiecker E., Engel M., Vogel N.:
Free Energy Landscape of Colloidal Clusters in Spherical Confinement
In: Acs Nano (2019)
ISSN: 1936-0851
DOI: 10.1021/acsnano.9b03039
Fan F., Kreher BW., Keil H., Maier A., Huang Y.:
Fiducial marker recovery and detection from severely truncated data in navigation assisted spine surgery
In: Medical Physics (2022)
ISSN: 0094-2405
DOI: 10.1002/mp.15617
Nitschke M., Dorschky E., Eskofier B., Koelewijn A., van den Bogert AJ.:
Trajectory Optimization of a 3D Musculoskeletal Model with Inertial Sensors
XXVIII Congress of the International Society of Biomechanics (ISB) (Online, 2021-07-25 - 2021-07-29)
URL: https://www.mad.tf.fau.de/files/2021/07/nitschke_isb_2021_abstract.pdf
Klement M., Engel M.:
Efficient equilibration of hard spheres with Newtonian event chains
In: Journal of Chemical Physics 150 (2019), Article No.: 174108
ISSN: 0021-9606
DOI: 10.1063/1.5090882
Reinhard PG., Dundas D., Dinh PM., Vincendon M., Suraud E.:
Unexpected dipole instabilities in small molecules after ultrafast XUV irradiation
In: Physical Review A 107 (2023), Article No.: L020801
ISSN: 1050-2947
DOI: 10.1103/PhysRevA.107.L020801
Kleinert T., Schmidt M.:
Computing Feasible Points of Bilevel Problems with a Penalty Alternating Direction Method
In: Informs Journal on Computing (2020)
ISSN: 1091-9856
DOI: 10.1287/ijoc.2019.0945
URL: https://pubsonline.informs.org/doi/10.1287/ijoc.2019.0945
Halbig K., Hümbs L., Rösel F., Schewe L., Weninger D.:
Computing optimality certificates for convex mixed-integer nonlinear problems
(2021)
URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/476/
Nitschke M., Marzilger R., Leyendecker S., Eskofier B., Koelewijn A.:
Change the direction: 3D optimal control simulation by directly tracking marker and ground reaction force data
In: PeerJ (2023)
ISSN: 2167-8359
DOI: 10.7717/peerj.14852
URL: https://peerj.com/articles/14852/
Franz E., Krappmann D., Fromm L., Luchs T., Görling A., Hirsch A., Brummel O., Libuda J.:
Electrocatalytic Energy Release of Norbornadiene-Based Molecular Solar Thermal Systems: Tuning the Electrochemical Stability by Molecular Design
In: Chemsuschem (2022)
ISSN: 1864-5631
DOI: 10.1002/cssc.202201483
Lang P., Kücükmeric E., Huber F., Will S.:
Investigation of iron oxide nanoparticle formation in a spray-flame synthesis process using laser-induced incandescence
In: Applied Physics B-Lasers and Optics 130 (2024), Article No.: 199
ISSN: 0946-2171
DOI: 10.1007/s00340-024-08334-6
Hümbs L., Martin A., Schewe L.:
Exploiting complete linear descriptions for decentralized power market problems with integralities
In: Mathematical Methods of Operations Research (2022)
ISSN: 1432-2994
DOI: 10.1007/s00186-022-00775-z
URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/279
Yang Z., Bauereiß A., Markl M., Körner C.:
Modeling laser beam absorption of metal alloys at high temperatures for selective laser melting
In: Advanced Engineering Materials 23 (2021), Article No.: 2100137
ISSN: 1438-1656
DOI: 10.1002/adem.202100137
Qiu J., Wilm F., Öttl M., Schlereth M., Liu C., Heimann T., Aubreville M., Breininger K.:
Adaptive Region Selection for Active Learning in Whole Slide Image Semantic Segmentation
In: The 26th International Conference on Medical Image Computing and Computer Assisted Intervention (MICCAI 2023) 2023
DOI: 10.48550/arXiv.2307.07168
Lacombe L., Suraud E., Reinhard PG., Dinh PM.:
An average stochastic approach to two-body dissipation in finite fermion systems
In: Annals of Physics 406 (2019), p. 233-256
ISSN: 0003-4916
DOI: 10.1016/j.aop.2018.10.009
Dinh PM., Vincendon M., Coppens F., Suraud E., Reinhard PG.:
Quantum Dissipative Dynamics (QDD): A real-time real-space approach to far-off-equilibrium dynamics in finite electron systems
In: Computer Physics Communications 270 (2022)
ISSN: 0010-4655
DOI: 10.1016/j.cpc.2021.108155
Eckstein T., Mansuroglu R., Czarnik P., Zhu JX., Hartmann M., Cincio L., Sornborger AT., Holmes Z.:
Large-scale simulations of Floquet physics on near-term quantum computers
In: npj Quantum Information 10 (2024), Article No.: 84
ISSN: 2056-6387
DOI: 10.1038/s41534-024-00866-1
URL: https://arxiv.org/abs/2303.02209
Gamler JT., Leonardi A., Ashberry HM., Daanen NN., Losovyj Y., Unocic RR., Engel M., Skrabalak SE.:
Achieving Highly Durable Random Alloy Nanocatalysts through Intermetallic Cores
In: ACS nano 13 (2019), p. 4008-4017
ISSN: 1936-0851
DOI: 10.1021/acsnano.8b08007
Gamler JT., Leonardi A., Sang X., Koczkur KM., Unocic RR., Engel M., Skrabalak SE.:
Effect of lattice mismatch and shell thickness on strain in core@shell nanocrystals
In: Nanoscale Advances (2020)
ISSN: 2516-0230
DOI: 10.1039/D0NA00061B
Hemauer F., Bauer U., Fromm L., Weiß C., Leng A., Bachmann P., Düll F., Steinhauer J., Schwaab V., Grzonka R., Hirsch A., Görling A., Steinrück HP., Papp C.:
Surface Chemistry of the Molecular Solar Thermal Energy Storage System 2,3-Dicyano-Norbornadiene/Quadricyclane on Ni(111)
In: ChemPhysChem (2022)
ISSN: 1439-4235
DOI: 10.1002/cphc.202200199
Yang Z., Huber F., Krapf A., Merle B., Markl M., Schmidt M., Körner C.:
Revealing bulk metallic glass crystallization kinetics during laser powder bed fusion by a combination of experimental and numerical methods
In: Journal of Non-Crystalline Solids 619 (2023), Article No.: 122532
ISSN: 0022-3093
DOI: 10.1016/j.jnoncrysol.2023.122532
Yang Z., Markl M., Körner C.:
Comprehensive numerical investigation of laser powder bed fusion process conditions for bulk metallic glasses
In: Additive Manufacturing 81 (2024), Article No.: 104026
ISSN: 2214-7810
DOI: 10.1016/j.addma.2024.104026
Aigner KM., Burlacu R., Liers F., Martin A.:
Solving AC Optimal Power Flow with Discrete Decisions to Global Optimality
In: Informs Journal on Computing (2023)
ISSN: 1091-9856
DOI: 10.1287/ijoc.2023.1270
URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/323
Reinhard PG., Suraud E.:
Self-interaction-correction and electron removal energies
In: Theoretical Chemistry Accounts 140 (2021)
ISSN: 1432-881X
DOI: 10.1007/s00214-021-02753-w
Bernhard D., Liers F., Stingl M., Uihlein A.:
A Gradient-Based Method for Joint Chance-Constrained Optimization with Continuous Distributions
In: Optimization Methods & Software (2025)
ISSN: 1055-6788
DOI: 10.1080/10556788.2025.2581585
Freiberger M., Minameyer M., Solymosi I., Frühwald S., Krug M., Xu Y., Hirsch A., Clark T., Guldi DM., von Delius M., Amsharov K., Görling A., Perez-Ojeda Rodriguez ME., Drewello T.:
Two Rings Around One Ball: Stability and Charge Localization of [1 : 1] and [2 : 1] Complex Ions of [10]CPP and C60/70[*]
In: Chemistry - A European Journal 29 (2022), Article No.: e202203734
ISSN: 0947-6539
DOI: 10.1002/chem.202203734
Sahlmann H., Sherif W.:
Towards quantum gravity with neural networks: solving the quantum Hamilton constraint of U(1) BF theory
In: Classical and Quantum Gravity 41 (2024), Article No.: 225014
ISSN: 0264-9381
DOI: 10.1088/1361-6382/ad84af
Mansuroglu R., Eckstein T., Nützel L., Wilkinson S., Hartmann M.:
Variational Hamiltonian simulation for translational invariant systems via classical pre-processing
In: Quantum Science and Technology 8 (2023), Article No.: 025006
ISSN: 2058-9565
DOI: 10.1088/2058-9565/acb1d0
Friedl P., Seehaus T., Braun M.:
Global time series and temporal mosaics of glacier surface velocities derived from Sentinel-1 data
In: Earth System Science Data 13 (2021), p. 4653-4675
ISSN: 1866-3508
DOI: 10.5194/essd-13-4653-2021
Aigner KM., Bärmann A., Braun K., Liers F., Pokutta S., Schneider O., Sharma K., Tschuppik S.:
Data-driven Distributionally Robust Optimization over Time
In: INFORMS Journal on Optimization (2023)
ISSN: 2575-1484
DOI: 10.1287/ijoo.2023.0091
URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/496
Higgoda U., Hellmann R., Koller TM., Fröba AP.:
Self-diffusion coefficient and viscosity of methane and carbon dioxide via molecular dynamics simulations based on new ab initio-derived force fields
In: Fluid Phase Equilibria 481 (2019), p. 15-27
ISSN: 0378-3812
DOI: 10.1016/j.fluid.2018.10.011
Higgoda U., Hewa Kankanamge CJK., Hellmann R., Koller TM., Fröba AP.:
Fick diffusion coefficients of binary fluid mixtures consisting of methane, carbon dioxide, and propane via molecular dynamics simulations based on simplified pair-specific ab initio-derived force fields
In: Fluid Phase Equilibria 502 (2019), Article No.: 112257
ISSN: 0378-3812
DOI: 10.1016/j.fluid.2019.112257
Koch M., Sommer C., Blindow N., Lutz K., Skvarca P., Ruiz L., Rizzoli P., Bueso-Bello JL., Fürst J., Braun M.:
The state and fate of Glaciar Perito Moreno Patagonia
In: Communications Earth & Environment 6 (2025), Article No.: 572
ISSN: 2662-4435
DOI: 10.1038/s43247-025-02515-7
Wang C., Nitschke M., Stefanyshyn D., Wannop JW., Luckfiel T., Schlarb H., Koelewijn A.:
Prediction of the effect of stack height on running biomechanics using optimal control simulation
Footwear Biomechanics Symposium (FBS) 2023 (Osaka, Japan, 2023-07-26 - 2023-07-28)
In: Footwear Science 2023
DOI: 10.1080/19424280.2023.2199295
Schmid M., Braun S., Sollacher R., Hartmann M.:
Highly efficient encoding for job-shop scheduling problems and its application on quantum computers
In: Quantum Science and Technology 10 (2024), p. 015051
ISSN: 2058-9565
DOI: 10.1088/2058-9565/ad9cba
Higgoda U., Hellmann R., Koller TM., Fröba AP.:
Enhancement of the predictive power of molecular dynamics simulations for the determination of self-diffusion coefficient and viscosity demonstrated for propane
In: Fluid Phase Equilibria 496 (2019), p. 69-79
ISSN: 0378-3812
DOI: 10.1016/j.fluid.2019.05.019
Aigner KM., Clarner JP., Liers F., Martin A.:
Robust Approximation of Chance Constrained DC Optimal Power Flow under Decision-Dependent Uncertainty
In: European Journal of Operational Research (2022)
ISSN: 0377-2217
DOI: 10.1016/j.ejor.2021.10.051
URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/312
Mai Dinh P., Vincendon M., Heraud J., Suraud E., Reinhard PG.:
Far Off Equilibrium Dynamics in Clusters and Molecules
In: Frontiers in Physics 8 (2020), Article No.: 27
ISSN: 2296-424X
DOI: 10.3389/fphy.2020.00027
Nitschke M., Mayer M., Dorschky E., Koelewijn A.:
How many sensors are enough? Trajectory optimization using sparse inertial sensor sets
9th World Congress of Biomechanics 2022 Taipei (Taipei, 2022-07-10 - 2022-07-14)
URL: https://www.youtube.com/watch?v=TznVCgK4DF0
Gasparini N., Camargo FV., Frühwald S., Nagahara T., Classen A., Roland S., Wadsworth A., Gregoriou VG., Chochos CL., Neher D., Salvador M., Baran D., McCulloch I., Görling A., Lüer L., Cerullo G., Brabec C.:
Adjusting the energy of interfacial states in organic photovoltaics for maximum efficiency
In: Nature Communications 12 (2021), Article No.: 1772
ISSN: 2041-1723
DOI: 10.1038/s41467-021-22032-3
Leonardi A., Engel M.:
Particle Shape Control via Etching of Core@Shell Nanocrystals
In: ACS nano 12 (2018), p. 9186-9195
ISSN: 1936-0851
DOI: 10.1021/acsnano.8b03759
Bommineni PK., Varela-Rosales NR., Klement M., Engel M.:
Complex Crystals from Size-Disperse Spheres
In: Physical Review Letters 122 (2019)
ISSN: 0031-9007
DOI: 10.1103/PhysRevLett.122.128005
Zemp M., Jakob L., Dussaillant I., Nussbaumer SU., Gourmelen N., Dubber S., A G., Abdullahi S., Andreassen LM., Berthier E., Bhattacharya A., Blazquez A., Boehm Vock L., Bolch T., Box J., Braun M., Brun F., Cicero E., Colgan W., Eckert N., Farinotti D., Florentine C., Floricioiu D., Gardner A., Harig C., Hassan J., Hugonnet R., Huss M., Jóhannesson T., Liang CA., Ke CQ., Abbas Khan S., King O., Kneib M., Krieger L., Maussion F., Mattea E., Mcnabb R., Menounos B., Miles E., Moholdt G., Nilsson J., Pálsson F., Pfeffer J., Piermattei L., Plummer S., Richter AJ., Sasgen I., Schuster L., Seehaus T., Shen X., Sommer C., Sutterley T., Treichler D., Velicogna I., Wouters B., Zekollari H., Zheng W.:
Community estimate of global glacier mass changes from 2000 to 2023
In: Nature 639 (2025), p. 382-388
ISSN: 0028-0836
DOI: 10.1038/s41586-024-08545-z
URL: https://www.nature.com/articles/s41586-024-08545-z
Vincendon M., Reinhard PG., Suraud E.:
The impact of dissipation on plasmonic versus non-collective excitation
In: Physics of Plasmas 25 (2018), Article No.: 031905
ISSN: 1070-664X
DOI: 10.1063/1.5018404
Eschenbacher R., Xu T., Franz E., Löw R., Moje T., Fromm L., Görling A., Brummel O., Herges R., Libuda J.:
Triggering the energy release in molecular solar thermal systems: Norbornadiene-functionalized trioxatriangulen on Au(111)
In: Nano Energy 95 (2022), Article No.: 107007
ISSN: 2211-2855
DOI: 10.1016/j.nanoen.2022.107007
Rounce DR., Hock R., McNabb RW., Millan R., Sommer C., Braun M., Malz P., Maussion F., Mouginot J., Seehaus T., Shean DE.:
Distributed Global Debris Thickness Estimates Reveal Debris Significantly Impacts Glacier Mass Balance
In: Geophysical Research Letters 48 (2021), Article No.: e2020GL091311
ISSN: 0094-8276
DOI: 10.1029/2020GL091311
Yang Z., Markl M., Körner C.:
Predictive simulation of bulk metallic glass crystallization during laser powder bed fusion
In: Additive Manufacturing 59 (2022), Article No.: 103121
ISSN: 2214-7810
DOI: 10.1016/j.addma.2022.103121
Malz P., Sommer C., Seehaus T., Farías-Barahona D., Braun M.:
Global glacier surface elevation change and geodetic mass balance estimations
13th European Conference on Synthetic Aperture Radar, EUSAR 2021 (Virtual, 2021-03-29 - 2021-04-01)
In: Proceedings of the European Conference on Synthetic Aperture Radar, EUSAR 2021
Reinhard PG., Roca-Maza X., Nazarewicz W.:
Information Content of the Parity-Violating Asymmetry in P-208
In: Physical Review Letters 127 (2021)
ISSN: 0031-9007
DOI: 10.1103/PhysRevLett.127.232501
Piermattei L., Zemp M., Sommer C., Brun F., Braun M., Andreassen LM., Belart JM., Berthier E., Bhattacharya A., Boehm Vock L., Bolch T., Dehecq A., Dussaillant I., Falaschi D., Florentine C., Floricioiu D., Ginzler C., Guillet G., Hugonnet R., Huss M., Kääb A., King O., Klug C., Knuth F., Krieger L., La Frenierre J., Mcnabb R., Mcneil C., Prinz R., Sass L., Seehaus T., Shean D., Treichler D., Wendt A., Yang R.:
Observing glacier elevation changes from spaceborne optical and radar sensors - an inter-comparison experiment using ASTER and TanDEM-X data
In: Cryosphere 18 (2024), p. 3195-3230
ISSN: 1994-0416
DOI: 10.5194/tc-18-3195-2024
Poller MJ., Bönisch S., Bertleff B., Raabe JC., Görling A., Albert J.:
Elucidating activating and deactivating effects of carboxylic acids on polyoxometalate-catalysed three-phase liquid–liquid-gas reactions
In: Chemical Engineering Science 264 (2022), Article No.: 118143
ISSN: 0009-2509
DOI: 10.1016/j.ces.2022.118143
Wopperer P., Gao CZ., Barillot T., Cauchy C., Marciniak A., Despre V., Loriot V., Celep G., Bordas C., Lepine F., Dinh PM., Suraud E., Reinhard PG.:
Progress towards a realistic theoretical description of C60 photoelectron-momentum imaging experiments using time-dependent density-functional theory
In: Physical Review A - Atomic, Molecular, and Optical Physics 91 (2015), Article No.: 042514
ISSN: 1094-1622
DOI: 10.1103/PhysRevA.91.042514
Grübel J., Kleinert T., Krebs V., Orlinskaya G., Schewe L., Schmidt M., Thürauf J.:
On electricity market equilibria with storage: Modeling, uniqueness, and a distributed ADMM
In: Computers & Operations Research 114 (2020)
ISSN: 0305-0548
DOI: 10.1016/j.cor.2019.104783
URL: https://www.sciencedirect.com/science/article/abs/pii/S0305054819302254?via=ihub
Haines P., Kaur R., Martin M., Minameyer M., Frühwald S., Bönisch S., Lungerich D., Hampel F., Görling A., Drewello T., Jux N., Guldi DM.:
Screening Nanographene-Mediated Inter(Porphyrin) Communication to Optimize Inter(Porphyrin–Fullerene) Forces
In: Advanced Energy Materials (2021)
ISSN: 1614-6832
DOI: 10.1002/aenm.202100158
Müller M., Wang Q., Cai W., Huber F., Will S.:
Tomographic single-shot time-resolved laser-induced incandescence for soot characterization in turbulent flames
In: Proceedings of the Combustion Institute 40 (2024), p. 105262
ISSN: 1540-7489
DOI: 10.1016/j.proci.2024.105262
Reinhard PG., Suraud É.:
Probing electron dynamics by IR+XUV pulses
In: European Physical Journal D 74 (2020), Article No.: 162
ISSN: 1434-6060
DOI: 10.1140/epjd/e2020-10053-4
Nitschke M., Dorschky E., Leyendecker S., Eskofier B., Koelewijn A.:
Estimating 3D kinematics and kinetics from virtual inertial sensor data through musculoskeletal movement simulations
In: Frontiers in Bioengineering and Biotechnology 12 (2024)
ISSN: 2296-4185
DOI: 10.3389/fbioe.2024.1285845
Wormser M., Wein F., Stingl M., Körner C.:
Design and Additive Manufacturing of 3D Phononic Band Gap Structures Based on Gradient Based Optimization
In: Materials 10 (2017)
ISSN: 1996-1944
DOI: 10.3390/ma10101125
Reinhard PG., Dinh PM., Dundas D., Suraud E., Vincendon M.:
On the stability of hole states in molecules and clusters
In: European Physical Journal - Special Topics (2022)
ISSN: 1951-6355
DOI: 10.1140/epjs/s11734-022-00676-6
Gambietz M., Nitschke M., Miehling J., Koelewijn A.:
What should a metabolic energy model look like? Sensitivity of metabolic energy model parameters during gait
9th World Congress of Biomechanics 2022 Taipei (Taipei, 2022-07-10 - 2022-07-14)
Kleinert T., Grimm V., Schmidt M.:
Outer Approximation for Global Optimization of Mixed-Integer Quadratic Bilevel Problems
In: Mathematical Programming (2021)
ISSN: 0025-5610
DOI: 10.1007/s10107-020-01601-2
Heraud J., Vincendon M., Reinhard PG., Dinh PM., Suraud E.:
Emission and collisional correlation in far-off equilibrium quantum systems
In: European Physical Journal D 75 (2021), Article No.: 121
ISSN: 1434-6060
DOI: 10.1140/epjd/s10053-021-00132-5
Wang J., Mbah Chrameh F., Przybilla T., Apeleo Zubiri B., Spiecker E., Engel M., Vogel N.:
Magic number colloidal clusters as minimum free energy structures
In: Nature Communications 9 (2018), Article No.: 5259
ISSN: 2041-1723
DOI: 10.1038/s41467-018-07600-4
Reinhard PG., Nazarewicz W.:
Information content of the differences in the charge radii of mirror nuclei
In: Physical Review C - Nuclear Physics 105 (2022), Article No.: L021301
ISSN: 0556-2813
DOI: 10.1103/PhysRevC.105.L021301
Aigner KM., Schaumann P., von Loeper F., Martin A., Schmidt V., Liers F.:
Robust DC Optimal Power Flow with Modeling of Solar Power Supply Uncertainty via R-Vine Copulas
In: Optimization and Engineering (2022)
ISSN: 1389-4420
DOI: 10.1007/s11081-022-09761-0
URL: https://link.springer.com/article/10.1007/s11081-022-09761-0
Dinh PM., Lacombe L., Reinhard PG., Suraud E., Vincendon M.:
On the inclusion of dissipation on top of mean-field approaches
In: European Physical Journal B 91 (2018), Article No.: 246
ISSN: 1434-6028
DOI: 10.1140/epjb/e2018-90147-0
Reinhard PG., Roca-Maza X., Nazarewicz W.:
Combined Theoretical Analysis of the Parity-Violating Asymmetry for Ca 48 and Pb 208
In: Physical Review Letters 129 (2022), Article No.: 232501
ISSN: 0031-9007
DOI: 10.1103/PhysRevLett.129.232501
Nitschke M., Luckfiel T., Schlarb H., Dorschky E., Koelewijn A.:
Prediction of the effect of midsole stiffness and energy return using trajectory optimisation
15th biennial Footwear Biomechanics Symposium (Online, 2021-07-21 - 2021-07-23)
In: Footwear Science 2021
DOI: 10.1080/19424280.2021.1917684
URL: https://www.mad.tf.fau.de/files/2023/05/FBS_2021_SoftvsEnergy_Submission_AOM_Declaration.pdf
Fusek L., Kastenmeier M., Franz E., Fromm L., Görling A., Brummel O., Libuda J.:
Anchoring of porphyrins on atomically defined cobalt oxide: In-situ infrared spectroscopy at the electrified solid/liquid interface
In: Surface Science 718 (2022), Article No.: 122013
ISSN: 0039-6028
DOI: 10.1016/j.susc.2021.122013
Seehaus T., Sommer C., Dethinne T., Malz P.:
Mass changes of the northern Antarctic Peninsula Ice Sheet derived from repeat bi-static synthetic aperture radar acquisitions for the period 2013–2017
In: Cryosphere 17 (2023), p. 4629-4644
ISSN: 1994-0416
DOI: 10.5194/tc-17-4629-2023
Shahateet K., Seehaus T., Navarro F., Sommer C., Braun M.:
Geodetic Mass Balance of the South Shetland Islands Ice Caps, Antarctica, from Differencing TanDEM-X DEMs
In: Remote Sensing 13 (2021), p. 3408
ISSN: 2072-4292
DOI: 10.3390/rs13173408
Minameyer M., Xu Y., Frühwald S., Görling A., von Delius M., Drewello T.:
Investigation of Cycloparaphenylenes (CPPs) and their Noncovalent Ring-in-Ring and Fullerene-in-Ring Complexes by (Matrix-Assisted) Laser Desorption/Ionization and Density Functional Theory
In: Chemistry - A European Journal (2020)
ISSN: 0947-6539
DOI: 10.1002/chem.202001503

Research projects using Woody

Research fields using Woody

A3 Multiscale Modeling and Simulation

TinyGPU

Linux based GPGPU computer / High performance computer TinyGPU

TinyGPU addresses the increasing demand for GPGPU-accelerated HPC systems and has nodes with six different types of GPUs (mostly of consumer type):

7 nodes with 2x Intel Xeon E5-2620v4 („Broadwell“, 8 Cores@2.1 GHz); 64 GB main memory; 4x NVIDIA Gefroce GTX 1080 (8 GB memory); 1.8 TB SSD
10 nodes with 2x Intel Xeon E5-2620v4 („Broadwell“, 8 Cores@2.1 GHz); 64 GB main memory; 4x NVIDIA Geforce GTX 1080Ti (11 GB memory); 1.8 TB SSD
12 nodes with 2x Intel Xeon Gold 6134 („Skylake“, 8 Cores@3.2 GHz); 96 GB main memory; 4x NVIDIA Geforce RTX 2080 Ti (11 GB memory); 1.8 TB SSD
4 nodes with 2x Intel Xeon Gold 6134 („Skylake“, 8 Cores@3.2 GHz); 96 GB main memory; 4x NVIDIA Tesla V100 (32 GB memory); 2.9 TB SSD
7 nodes with 2x Intel Xeon Gold 6226R („Cascadelake“, 16 Cores@2.9 GHz); 394 GB main memory; 8x NVIDIA Geforce RTX3080 (10 GB memory); 3,8 TB SSD
8 nodes with 2x AMD Epyc 7662 („Rome“, 64 Cores@2,0 GHz); 512 GB main memory; 4x NVIDIA A100 SXM4/Nvlink; 6,4 TB SSD

45 out of the 48 nodes have been purchased/financed by specific groups or special projects. These users have priority access and nodes may be reserved exclusively for them.

https://hpc.fau.de/systems-services/systems-documentation-instructions/clusters/tinygpu-cluster/;

Publications using TinyGPU

Handke M., Beierlein F., Imhof P., Schiedel M., Hammann S.:
New fluorogenic triacylglycerols as sensors for dynamic measurement of lipid oxidation
In: Analytical and Bioanalytical Chemistry 417 (2025), p. 287-296
ISSN: 1618-2642
DOI: 10.1007/s00216-024-05642-w
Abeßer J., Balke S., Frieler K., Pfleiderer M., Müller M.:
Deep Learning for Jazz Walking Bass Transcription
In: Proceedings of the AES Conference on Semantic Audio, Erlangen, Germany: 2017
Gourmelon N., Klink J., Seehaus T., Braun M., Maier A., Christlein V.:
Conditional Random Fields for Improving Deep Learning-based Glacier Calving Front Delineations
International Geoscience and Remote Sensing Symposium 2023 (Pasadena, California, 2023-07-16 - 2023-07-21)
In: IGARSS 2023 - 2023 IEEE International Geoscience and Remote Sensing Symposium 2023
DOI: 10.1109/IGARSS52108.2023.10282915
URL: https://ieeexplore.ieee.org/document/10282915
Eberlein L., Beierlein F., van Eikema Hommes N., Radadiya A., Heil J., Benner SA., Clark T., Kast SM., Richards NG.:
Tautomeric Equilibria of Nucleobases in the Hachimoji Expanded Genetic Alphabet
In: Journal of Chemical Theory and Computation 16 (2020), p. 2766-2777
ISSN: 1549-9618
DOI: 10.1021/acs.jctc.9b01079
Amador Balderas JA., Beierlein F., Horn A., Volkenandt S., Völcker L., Mokhtari N., Epee Ndongue JC., Imhof P.:
Mode of Metal Ligation Governs Inhibition of Carboxypeptidase A
In: International Journal of Molecular Sciences 25 (2024), p. 13725
ISSN: 1422-0067
DOI: 10.3390/ijms252413725
Hanzevacki M., Čondić-Jurkić K., Banhatti RD., Smith AS., Smith DM.:
The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate-Lyase
In: Chemistry - A European Journal (2019)
ISSN: 0947-6539
DOI: 10.1002/chem.201900663
Tropper M., Höhn S., Wolf LS., Fritsch J., Kastner-Detter N., Rieck C., Munkert J., Meitinger N., Lanig H., Kreis W.:
21-Hydroxypregnane 21-O-malonylation, a crucial step in cardenolide biosynthesis, can be achieved by substrate-promiscuous BAHD-type phenolic glucoside malonyltransferases from Arabidopsis thaliana and homolog proteins from Digitalis lanata
In: Phytochemistry 187 (2021), Article No.: 112710
ISSN: 0031-9422
DOI: 10.1016/j.phytochem.2021.112710
Conrad M., Söldner C., Miao Y., Sticht H.:
Agonist binding and g protein coupling in histamine h2 receptor: A molecular dynamics study
In: International Journal of Molecular Sciences 21 (2020), p. 1-18
ISSN: 1422-0067
DOI: 10.3390/ijms21186693
Wu F., Gourmelon N., Seehaus T., Zhang J., Braun M., Maier A., Christlein V.:
AMD-HookNet for Glacier Front Segmentation
In: IEEE Transactions on Geoscience and Remote Sensing 61 (2023), p. 1-12
ISSN: 0196-2892
DOI: 10.1109/TGRS.2023.3245419
URL: https://ieeexplore.ieee.org/document/10044700
Pfenning S., Simpetru R., Pollak N., Del Vecchio A., Fey D.:
ANALYSIS OF EMBEDDED GPU ARCHITECTURES FOR AI IN NEUROMUSCULAR APPLICATIONS
In: IADIS International Journal on Computer Science and Information Systems 19 (2024), p. 1-14
ISSN: 1646-3692
DOI: 10.33965/ijcsis_2024190101
URL: http://www.iadisportal.org/ijcsis/papers/2024190101.pdf
Höring C., Conrad M., Söldner C., Wang J., Sticht H., Strasser A., Miao Y.:
Specific engineered G protein coupling to histamine receptors revealed from cellular assay experiments and accelerated molecular dynamics simulations
In: International Journal of Molecular Sciences 22 (2021), Article No.: 10047
ISSN: 1422-0067
DOI: 10.3390/ijms221810047
Namakchian M., Kaßler K., Sticht H., Hensel M., Deiwick J.:
Structure-based functional analysis of effector protein SifA in living cells reveals motifs important for Salmonella intracellular proliferation
In: International Journal of Medical Microbiology 308 (2018), p. 84-96
ISSN: 1438-4221
DOI: 10.1016/j.ijmm.2017.09.004
Hewa Kankanamge CJK., Zhan T., Piszko M., Klein T., Fröba AP.:
Diffusion coefficients in binary electrolyte mixtures by dynamic light scattering and molecular dynamics simulations
In: Electrochimica Acta 462 (2023), Article No.: 142637
ISSN: 0013-4686
DOI: 10.1016/j.electacta.2023.142637
Piszko M., Lenahan F., Steinacker SL., Klein T., Fröba AP.:
Diffusivities in Binary Mixtures of Ammonia Dissolved in n-Hexane, 1-Hexanol, or Cyclohexane Determined by Dynamic Light Scattering and Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 68 (2023), p. 2585–2598
ISSN: 0021-9568
DOI: 10.1021/acs.jced.3c00437
Simpetru R., März M., Del Vecchio A.:
Proportional and Simultaneous Real-Time Control of the Full Human Hand From High-Density Electromyography
In: IEEE Transactions on Neural Systems and Rehabilitation Engineering 31 (2023), p. 3118-3131
ISSN: 1534-4320
DOI: 10.1109/TNSRE.2023.3295060
Piszko M., Lenahan F., Dennstädt C., Klein T., Fröba AP.:
Mutual and Thermal Diffusivities in Binary Mixtures of n-Hexane or 1-Hexanol with Krypton, R143a, or Sulfur Hexafluoride by Using Dynamic Light Scattering and Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 68 (2023), p. 1343-1357
ISSN: 0021-9568
DOI: 10.1021/acs.jced.3c00143
Piszko M., Lenahan F., Klein T., Fröba AP.:
Diffusivities in Binary Mixtures of Cyclohexane or Ethyl Butanoate with Dissolved CH4 or R143a Close to Infinite Dilution
In: Journal of Chemical and Engineering Data 68 (2023), p. 339-348
ISSN: 0021-9568
DOI: 10.1021/acs.jced.2c00696
Harrer M., Franke L., Fink L., Stamminger M., Weyrich T.:
Inovis: Instant Novel-View Synthesis
SIGGRAPH Asia 2023 Sydney (Sydney, 2023-12-12 - 2023-12-15)
In: Association for Computing Machinery (ed.): ACM SIGGRAPH Asia 2023 Conference Proceedings 2023
DOI: 10.1145/3610548.3618216
URL: https://reality.tf.fau.de/publications/2023/harrerfranke2023inovis
Simpetru R., Arkudas A., Braun D., Oßwald M., Souza de Oliveira D., Eskofier B., Kinfe TM., Del Vecchio A.:
Learning a Hand Model from Dynamic Movements Using High-Density EMG and Convolutional Neural Networks
In: IEEE Transactions on Biomedical Engineering (2024), p. 1-12
ISSN: 0018-9294
DOI: 10.1109/TBME.2024.3432800
Zalkow F.:
Learning Audio Representations for Cross-Version Retrieval of Western Classical Music (Dissertation, 2021)
URL: https://nbn-resolving.org/urn:nbn:de:bvb:29-opus4-167774
Beierlein F., Horn A., Sticht H., Mokhir A., Imhof P.:
In Silico Study of Camptothecin-Based Pro-Drugs Binding to Human Carboxylesterase 2
In: Biomolecules 14 (2024), Article No.: 153
ISSN: 2218-273X
DOI: 10.3390/biom14020153
Söldner C., Horn A., Sticht H.:
A Metadynamics-Based Protocol for the Determination of GPCR-Ligand Binding Modes
In: International Journal of Molecular Sciences 20 (2019)
ISSN: 1422-0067
DOI: 10.3390/ijms20081970
Pröschel M., Kraner M., Horn A., Schäfer L., Sonnewald U., Sticht H.:
Probing the potential of CnaB-type domains for the design of tag/catcher systems
In: PLoS ONE 12 (2017)
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0179740
Krause M., Müller M., Weiß C.:
Towards Leitmotif Activity Detection in Opera Recordings
In: Transactions of the International Society for Music Information Retrieval 4 (2021), p. 127-140
ISSN: 2514-3298
DOI: 10.5334/tismir.116
Söldner C., Horn A., Sticht H.:
Binding of histamine to the H1 receptora molecular dynamics study
In: Journal of Molecular Modeling 24 (2018)
ISSN: 1610-2940
DOI: 10.1007/s00894-018-3873-7
Simpetru R., Oßwald M., Braun D., Souza de Oliveira D., Cakici A., Del Vecchio A.:
Accurate Continuous Prediction of 14 Degrees of Freedom of the Hand from Myoelectrical Signals through Convolutive Deep Learning
44th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, EMBC 2022 (Scottish Event Campus, Glasgow, UK, 2022-07-11 - 2023-07-15)
DOI: 10.1109/EMBC48229.2022.9870937
Fleischmann S., Dietz S., Shanbhag J., Wünsch A., Nitschke M., Miehling J., Wartzack S., Leyendecker S., Eskofier B., Koelewijn A.:
Exploring Dataset Bias and Scaling Techniques in Multi-Source Gait Biomechanics: An Explainable Machine Learning Approach
In: ACM Transactions on Intelligent Systems and Technology 20 (2024), Article No.: 20
ISSN: 2157-6904
DOI: 10.1145/3702646
Beudert M., Hahn L., Horn A., Hauptstein N., Sticht H., Meinel L., Luxenhofer R., Gutmann M., Luehmann T.:
Merging bioresponsive release of insulin-like growth factor I with 3D printable thermogelling hydrogels
In: Journal of Controlled Release 347 (2022), p. 115-126
ISSN: 0168-3659
DOI: 10.1016/j.jconrel.2022.04.028
Conrad M., Söldner C., Sticht H.:
Effect of Ions and Sequence Variants on the Antagonist Binding Properties of the Histamine H1 Receptor
In: International Journal of Molecular Sciences 23 (2022), Article No.: 1420
ISSN: 1422-0067
DOI: 10.3390/ijms23031420
Sandmann A., Sticht H.:
Probing the role of intercalating protein sidechains for kink formation in DNA
In: PLoS ONE 13 (2018)
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0192605
Beierlein F., Volkenandt S., Imhof P.:
Oxidation Enhances Binding of Extrahelical 5-Methyl-Cytosines by Thymine DNA Glycosylase
In: Journal of Physical Chemistry B 126 (2022), p. 1188-1201
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.1c09896
Choithwani M., Almeida S., Egger B.:
PoseBias: On Dataset Bias and Task Difficulty - Is there an Optimal Camera Position for Facial Image Analysis?
2023 IEEE/CVF International Conference on Computer Vision Workshops, ICCVW 2023 (Paris, 2023-10-02 - 2023-10-06)
In: 2023 IEEE/CVF International Conference on Computer Vision Workshops (ICCVW) 2023
DOI: 10.1109/ICCVW60793.2023.00334
Schwinn L., Nguyen A., Raab R., Zanca D., Eskofier B., Tenbrinck D., Burger M.:
Dynamically Sampled Nonlocal Gradients for Stronger Adversarial Attacks
International Joint Conference on Neural Networks (IJCNN) (Online, 2021-07-18 - 2021-07-22)
DOI: 10.1109/ijcnn52387.2021.9534190
Lenahan F., Piszko M., Klein T., Fröba AP.:
Molecular dynamics simulations of liquid ethane up to 298.15 K
In: Molecular Physics (2023), Article No.: e2211401
ISSN: 0026-8976
DOI: 10.1080/00268976.2023.2211401
Balke S., Dittmar C., Abeßer J., Müller M.:
Data-Driven Solo Voice Enhancement for Jazz Music Retrieval
In: Proceedings of the IEEE International Conference on Acoustics, Speech, and Signal Processing (ICASSP) 2017
Hanzevacki M., Banhatti RD., Čondić-Jurkić K., Smith AS., Smith DM.:
Exploring Reactive Conformations of Coenzyme A during Binding and Unbinding to Pyruvate Formate-Lyase
In: Journal of Physical Chemistry A (2019)
ISSN: 1520-5215
DOI: 10.1021/acs.jpca.9b06913
Klemt I., Reshetnikov V., Dutta S., Bila G., Bilyy R., Cuartero IC., Hidalgo A., Wünsche A., Böhm M., Wondrak M., Kunz-Schughart LA., Tietze R., Beierlein F., Imhof P., Gensberger-Reigl S., Pischetsrieder M., Körber M., Jost T., Mokhir A.:
A concept of dual-responsive prodrugs based on oligomerization-controlled reactivity of ester groups: an improvement of cancer cells versus neutrophils selectivity of camptothecin
In: RSC Medicinal Chemistry (2024)
ISSN: 2632-8682
DOI: 10.1039/d3md00609c
Söldner C., Horn A., Sticht H.:
Interaction of Glycolipids with the Macrophage Surface Receptor Mincle - a Systematic Molecular Dynamics Study
In: Scientific Reports 8 (2018)
ISSN: 2045-2322
DOI: 10.1038/s41598-018-23624-8
Konieczny A., Conrad M., Ertl FJ., Gleixner J., Gattor AO., Grätz L., Schmidt MF., Neu E., Horn A., Wifling D., Gmeiner P., Clark T., Sticht H., Keller M.:
N-Terminus to Arginine Side-Chain Cyclization of Linear Peptidic Neuropeptide y Y4Receptor Ligands Results in Picomolar Binding Constants
In: Journal of Medicinal Chemistry 64 (2021), p. 16746-16769
ISSN: 0022-2623
DOI: 10.1021/acs.jmedchem.1c01574
Peters B., Stein J., Klingl S., Sander N., Sandmann A., Taccardi N., Sticht H., Gerlach RG., Muller Y., Hensel M.:
Structural and functional dissection reveals distinct roles of Ca2+-binding sites in the giant adhesin SiiE of Salmonella enterica
In: PLoS Pathogens 13 (2017), Article No.: e1006418
ISSN: 1553-7366
DOI: 10.1371/journal.ppat.1006418
Hardwick JS., Haugland MM., El-Sagheer AH., Ptchelkine D., Beierlein F., Lane AN., Brown T., Lovett JE., Anderson EA.:
2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis
In: Nucleic Acids Research 48 (2020), p. 2830-2840
ISSN: 0305-1048
DOI: 10.1093/nar/gkaa086
Krause M., Müller M., Weiß C.:
Singing Voice Detection in Opera Recordings: A Case Study on Robustness and Generalization
In: Electronics 10 (2021)
ISSN: 2079-9292
DOI: 10.3390/electronics10101214
Aillaud I., Kaniyappan S., Chandupatla RR., Ramirez LM., Alkhashrom S., Eichler J., Horn A., Zweckstetter M., Mandelkow E., Sticht H., Funke SA.:
A novel D-amino acid peptide with therapeutic potential (ISAD1) inhibits aggregation of neurotoxic disease-relevant mutant Tau and prevents Tau toxicity in vitro
In: Alzheimer's Research and Therapy 14 (2022)
ISSN: 1758-9193
DOI: 10.1186/s13195-022-00959-z
Simpetru R., Cnejevici V., Farina D., Del Vecchio A.:
Influence of spatio-temporal filtering on hand kinematics estimation from high-density EMG signals
In: Journal of Neural Engineering 21 (2024), p. 026014
ISSN: 1741-2560
DOI: 10.1088/1741-2552/ad3498
Diewald B., Socher E., Söldner C., Sticht H.:
Conformational Dynamics of Herpesviral NEC Proteins in Different Oligomerization States
In: International Journal of Molecular Sciences 19 (2018)
ISSN: 1422-0067
DOI: 10.3390/ijms19102908
Malhis M., Kaniyappan S., Aillaud I., Chandupatla RR., Ramirez LM., Zweckstetter M., Horn A., Mandelkow E., Sticht H., Funke SA.:
Potent Tau Aggregation Inhibitor D-Peptides Selected against Tau-Repeat 2 Using Mirror Image Phage Display
In: ChemBioChem (2021)
ISSN: 1439-4227
DOI: 10.1002/cbic.202100287
Folle L., Vesal S., Ravikumar N., Maier A.:
Dilated deeply supervised networks for hippocampus segmentation in MRI
Workshop on Bildverarbeitung fur die Medizin, 2019 (Lübeck, 2019-03-17 - 2019-03-19)
In: Thomas M. Deserno, Andreas Maier, Christoph Palm, Heinz Handels, Klaus H. Maier-Hein, Thomas Tolxdorff (ed.): Informatik aktuell 2019
DOI: 10.1007/978-3-658-25326-4_18
Raucheisen M., Attia D., Körber M., Crevillén AA., Hidalgo A., Beierlein F., Imhof P., Mokhir A.:
Mitochondria-Catalyzed Activation of Anticancer Prodrugs
In: ChemCatChem (2025)
ISSN: 1867-3880
DOI: 10.1002/cctc.202500054
Simpetru R., Souza de Oliveira D., Ponfick M., Del Vecchio A.:
Identification of Spared and Proportionally Controllable Hand Motor Dimensions in Motor Complete Spinal Cord Injuries Using Latent Manifold Analysis
In: IEEE Transactions on Neural Systems and Rehabilitation Engineering 32 (2024), p. 3741-3750
ISSN: 1534-4320
DOI: 10.1109/TNSRE.2024.3472063
Link J., Schwinn L., Pulsmeyer F., Kautz T., Eskofier B.:
xLength: Predicting Expected Ski Jump Length Shortly after Take-Off Using Deep Learning
In: Sensors 22 (2022), Article No.: 8474
ISSN: 1424-8220
DOI: 10.3390/s22218474
Balke S., Dittmar C., Müller M.:
Ansätze zur datengetriebenen Transkription einstimmiger Jazzsoli
In: Proceedings of the Deutsche Jahrestagung für Akustik (DAGA), München, Germany: 2018
Nishimura T., Dogaru A., Egger B.:
ArCSEM: Artistic Colorization of SEM Images via Gaussian Splatting
AI for Visual Arts Workshop and Challenges (AI4VA) in conjunction with European Conference on Computer Vision (ECCV) 2024, Milano, Italy (Mailand, 2024-09-29 - 2024-09-29)
Open Access: https://arxiv.org/pdf/2410.21310
Zalkow F., Müller M.:
CTC-Based Learning of Chroma Features for Score-Audio Music Retrieval
In: IEEE/ACM Transactions on Audio, Speech and Language Processing 29 (2021), p. 2957-2971
ISSN: 2329-9290
DOI: 10.1109/TASLP.2021.3110137
Sarcletti M., Vivod D., Luchs T., Rejek T., Portilla Berlanga L., Müller L., Dietrich H., Hirsch A., Zahn D., Halik M.:
Superoleophilic Magnetic Iron Oxide Nanoparticles for Effective Hydrocarbon Removal from Water
In: Advanced Functional Materials (2019)
ISSN: 1616-301X
DOI: 10.1002/adfm.201805742
URL: https://onlinelibrary.wiley.com/doi/10.1002/adfm.201805742
Link J., Perst T., Stöve M., Eskofier B.:
Wearable Sensors for Activity Recognition in Ultimate Frisbee Using Convolutional Neural Networks and Transfer Learning
In: Sensors 22 (2022), p. 2560
ISSN: 1424-8220
DOI: 10.3390/s22072560
Sarcletti M., Park H., Wirth J., Englisch S., Eigen A., Drobek D., Vivod D., Friedrich B., Tietze R., Alexiou C., Zahn D., Apeleo Zubiri B., Spiecker E., Halik M.:
The remediation of nano-/microplastics from water
In: Materials Today (2021)
ISSN: 1369-7021
DOI: 10.1016/j.mattod.2021.02.020
URL: https://www.sciencedirect.com/science/article/pii/S1369702121000821
Huraskin D., Horn A.:
Alkali ion influence on structure and stability of fibrillar amyloid-beta oligomers
In: Journal of Molecular Modeling 25 (2019), Article No.: 37
ISSN: 1610-2940
DOI: 10.1007/s00894-018-3920-4
Ge C., Weisse S., Xu B., Dobritzsch D., Viljanen J., Kihlberg J., Do NN., Schneider N., Lanig H., Holmdahl R., Burkhardt H.:
Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor
In: Annals of the Rheumatic Diseases (2022)
ISSN: 0003-4967
DOI: 10.1136/annrheumdis-2021-220500
Bochicchio A., Brandner A., Engberg O., Huster D., Böckmann R.:
Spontaneous Membrane Nanodomain Formation in the Absence or Presence of the Neurotransmitter Serotonin
In: Frontiers in Cell and Developmental Biology 8 (2020), Article No.: 601145
ISSN: 2296-634X
DOI: 10.3389/fcell.2020.601145
Park H., Kim JH., Vivod D., Kim S., Mirzaei A., Zahn D., Park C., Halik M., Kim SS.:
Chemical-recognition-driven selectivity of SnO2-nanowire-based gas sensors
In: Nano Today (2021)
ISSN: 1748-0132
DOI: 10.1016/j.nantod.2021.101265
URL: https://www.sciencedirect.com/science/article/abs/pii/S1748013221001900
Zürl M., Stoll P., Brehm I., Raab R., Zanca D., Kabri S., Happold J., Nille H., Prechtel K., Wünsch S., Krause M., Seegerer S., von Fersen L., Eskofier B.:
Automated Video-Based Analysis Framework for Behavior Monitoring of Individual Animals in Zoos Using Deep Learning—A Study on Polar Bears
In: Animals 12 (2022), p. 692
ISSN: 2076-2615
DOI: 10.3390/ani12060692
Socher E., Conrad M., Heger L., Paulsen F., Sticht H., Zunke F., Arnold P.:
Mutations in the B.1.1.7 SARS-CoV-2 Spike Protein Reduce Receptor-Binding Affinity and Induce a Flexible Link to the Fusion Peptide
In: Biomedicines 9 (2021)
ISSN: 2227-9059
DOI: 10.3390/biomedicines9050525
URL: https://www.mdpi.com/2227-9059/9/5/525/xml
Kicuntod J., Alkhashrom S., Häge S., Diewald B., Müller R., Hahn F., Lischka P., Sticht H., Eichler J., Marschall M.:
Properties of Oligomeric Interaction of the Cytomegalovirus Core Nuclear Egress Complex (NEC) and Its Sensitivity to an NEC Inhibitory Small Molecule
In: Viruses 13 (2021)
ISSN: 1999-4915
DOI: 10.3390/v13030462
Peters B., Stein J., Klingl S., Sander N., Sandmann A., Taccardi N., Sticht H., Gerlach R., Muller Y., Hensel M.:
Structural and functional dissection reveals distinct roles of Ca2+-binding sites in the giant adhesin SiiE of Salmonella enterica
In: PLoS Pathogens 13 (2017), Article No.: e1006418
ISSN: 1553-7366
DOI: 10.1371/journal.ppat.1006418
URL: https://journals.plos.org/plospathogens/article?id=10.1371/journal.ppat.1006418
Zalkow F., Müller M.:
Using Weakly Aligned Score—Audio Pairs to Train Deep Chroma Models for Cross-Modal Music Retrieval
International Society for Music Information Retrieval Conference
DOI: 10.5281/zenodo.4245400
Zalkow F., Müller M.:
Learning low-dimensional embeddings of audio shingles for cross-version retrieval of classical music
In: Applied Sciences 10 (2020), Article No.: 19
ISSN: 2076-3417
DOI: 10.3390/app10010019
Volkenandt S., Beierlein F., Imhof P.:
Interaction of thymine dna glycosylase with oxidised 5-methyl-cytosines in their amino-and imino-forms
In: Molecules 26 (2021), Article No.: 5728
ISSN: 1420-3049
DOI: 10.3390/molecules26195728
Lenahan F., Piszko M., Klein T., Fröba AP.:
Diffusivities in Binary Mixtures of n-Decane, n-Hexadecane, n-Octacosane, 2-Methylpentane, 2,2-Dimethylbutane, Cyclohexane, Benzene, Ethanol, 1-Decanol, Ethyl Butanoate, or n-Hexanoic Acid with Dissolved He or Kr Close to Infinite Dilution
In: Journal of Chemical and Engineering Data 67 (2022), p. 622-635
ISSN: 0021-9568
DOI: 10.1021/acs.jced.1c00922
Herrmann O., Gourmelon N., Seehaus T., Maier A., Fürst J., Braun M., Christlein V.:
Out-of-the-box Calving Front Detection Method Using Deep Learning
In: Cryosphere 17 (2023), p. 4957–4977
ISSN: 1994-0416
DOI: 10.5194/tc-17-4957-2023
Hawly T., Streller F., Johnson M., Miguez Lago S., Hammer N., Hampel F., Vivod D., Zahn D., Kivala M., Branscheid R., Spiecker E., Fink R.:
Tailored solution‐based N‐heterotriangulene thin films: Unravelling the self‐assembly
In: ChemPhysChem (2021), Article No.: cphc.202100164
ISSN: 1439-4235
DOI: 10.1002/cphc.202100164
Trollmann M., Böckmann R.:
Characterization of a lipid nanoparticle for mRNA delivery using molecular dynamics
In: EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, NEW YORK: 2021
Socher E., Conrad M., Heger L., Paulsen F., Sticht H., Zunke F., Arnold P.:
Computational decomposition reveals reshaping of the SARS‐CoV‐2–ACE2 interface among viral variants expressing the N501Y mutation
In: Journal of Cellular Biochemistry (2021)
ISSN: 0730-2312
DOI: 10.1002/jcb.30142
Söldner C., Sticht H., Horn A.:
Role of the N-terminus for the stability of an amyloid-β fibril with three-fold symmetry
In: PLoS ONE 12 (2017)
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0186347
Trollmann M., Böckmann R.:
mRNA lipid nanoparticle phase transition
In: Biophysical Journal (2022)
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2022.08.037
Socher E., Heger L., Paulsen F., Zunke F., Arnold P.:
Molecular dynamics simulations of the delta and omicron SARS-CoV-2 spike – ACE2 complexes reveal distinct changes between both variants
In: Computational and Structural Biotechnology Journal 20 (2022), p. 1168-1176
ISSN: 2001-0370
DOI: 10.1016/j.csbj.2022.02.015

Research projects using TinyGPU

Research fields using TinyGPU

A3 Multiscale Modeling and Simulation

TinyFAT

Linux based HPC compute nodes with large main memory / High performance computer TinyFat

TinyFat addresses applications with the demand for large main memory and has nodes with three different types:

8 nodes with 2x 2x Intel Xeon E5-2643 v4 (“Broadwell”) @3.4 GHz = 12 cores/24 threads and 256 GB main memory
3 nodes with 2x Intel Xeon E5-2680 v4 (“Broadwell”) @2.4 GHz = 28 cores/56 threads and 512 GB main memory
36 nodes with 2x AMD Rome 7502 @2.5 GHz = 64 cores/128 threads and 512 GM main memory

All nodes have been purchased/financed by specific groups or special projects. These users have priority access and nodes may be reserved exclusively for them.

https://hpc.fau.de/systems-services/systems-documentation-instructions/clusters/tinyfat-cluster/;

Publications using TinyFAT

Seehaus T., Sommer C., Dethinne T., Malz P.:
Mass changes of the northern Antarctic Peninsula Ice Sheet derived from repeat bi-static synthetic aperture radar acquisitions for the period 2013–2017
In: Cryosphere 17 (2023), p. 4629-4644
ISSN: 1994-0416
DOI: 10.5194/tc-17-4629-2023
Zapletal P., McMahon N., Hartmann M.:
Error-tolerant quantum convolutional neural networks for symmetry-protected topological phases
In: Physical Review Research 6 (2024), Article No.: 033111
ISSN: 2643-1564
DOI: 10.1103/PhysRevResearch.6.033111
Ortiz RA., Menke H., Misjak F., Mantadakis DT., Fuersich K., Schierle E., Logvenov G., Kaiser U., Keimer B., Hansmann P., Benckiser E.:
Superlattice approach to doping infinite-layer nickelates
In: Physical Review B 104 (2021)
ISSN: 0163-1829
DOI: 10.1103/PhysRevB.104.165137
Eckstein T., Mansuroglu R., Czarnik P., Zhu JX., Hartmann M., Cincio L., Sornborger AT., Holmes Z.:
Large-scale simulations of Floquet physics on near-term quantum computers
In: npj Quantum Information 10 (2024), Article No.: 84
ISSN: 2056-6387
DOI: 10.1038/s41534-024-00866-1
URL: https://arxiv.org/abs/2303.02209
Fleischmann S., Holzwarth Correa V., Coppers B., Sadeghi M., Richer R., Kleyer A., Simon D., Bräunig J., Vossiek M., Schönau V., Schett G., Koelewijn A., Leyendecker S., Eskofier B., Liphardt AM.:
Classification of rheumatoid arthritis from hand motion capture data using machine learning
13. Kongress der Deutschen Gesellschaft für Biomechanik (DGfB) (Heidelberg, 2024-04-24 - 2024-04-26)
Sahlmann H., Sherif W.:
Towards quantum gravity with neural networks: solving quantum Hamilton constraints of 3d Euclidean gravity in the weak coupling limit
In: Classical and Quantum Gravity 41 (2024), Article No.: 215006
ISSN: 0264-9381
DOI: 10.1088/1361-6382/ad7c14
Sahlmann H., Sherif W.:
Towards quantum gravity with neural networks: solving the quantum Hamilton constraint of U(1) BF theory
In: Classical and Quantum Gravity 41 (2024), Article No.: 225014
ISSN: 0264-9381
DOI: 10.1088/1361-6382/ad84af
Mansuroglu R., Eckstein T., Nützel L., Wilkinson S., Hartmann M.:
Variational Hamiltonian simulation for translational invariant systems via classical pre-processing
In: Quantum Science and Technology 8 (2023), Article No.: 025006
ISSN: 2058-9565
DOI: 10.1088/2058-9565/acb1d0
Rounce DR., Hock R., McNabb RW., Millan R., Sommer C., Braun M., Malz P., Maussion F., Mouginot J., Seehaus T., Shean DE.:
Distributed Global Debris Thickness Estimates Reveal Debris Significantly Impacts Glacier Mass Balance
In: Geophysical Research Letters 48 (2021), Article No.: e2020GL091311
ISSN: 0094-8276
DOI: 10.1029/2020GL091311
Malz P., Sommer C., Seehaus T., Farías-Barahona D., Braun M.:
Global glacier surface elevation change and geodetic mass balance estimations
13th European Conference on Synthetic Aperture Radar, EUSAR 2021 (Virtual, 2021-03-29 - 2021-04-01)
In: Proceedings of the European Conference on Synthetic Aperture Radar, EUSAR 2021

Research projects using TinyFAT

Research fields using TinyFAT

-/-

Research fields using any HPC cluster (items occur multiple times if a field is mentioned for multiple clusters)

A3 Multiscale Modeling and Simulation

A3 Multiscale Modeling and Simulation

Pulications using any HPC cluster (items occur multiple times if a publication is liked to multiple clusters)

Sahlmann H., Sherif W.:
Towards quantum gravity with neural networks: solving quantum Hamilton constraints of 3d Euclidean gravity in the weak coupling limit
In: Classical and Quantum Gravity 41 (2024), Article No.: 215006
ISSN: 0264-9381
DOI: 10.1088/1361-6382/ad7c14
Grau B., Bönisch S., Neuhauser A., Hampel F., Görling A., Tsogoeva S.:
Facile Access to Challenging ortho-Terphenyls via Merging Two Multi-Step Domino Reactions in One-Pot: A Joint Experimental/Theoretical Study
In: ChemCatChem (2019)
ISSN: 1867-3880
DOI: 10.1002/cctc.201900746
Brabec T., Dinh PM., Gao C., McDonald C., Reinhard PG., Suraud É.:
Physical mechanisms encoded in photoionization yield from IR+XUV setups
In: European Physical Journal D 73 (2019), Article No.: 212
ISSN: 1434-6060
DOI: 10.1140/epjd/e2019-90507-4
Wang J., Mbah Chrameh F., Przybilla T., Englisch S., Spiecker E., Engel M., Vogel N.:
Free Energy Landscape of Colloidal Clusters in Spherical Confinement
In: Acs Nano (2019)
ISSN: 1936-0851
DOI: 10.1021/acsnano.9b03039
Fan F., Kreher BW., Keil H., Maier A., Huang Y.:
Fiducial marker recovery and detection from severely truncated data in navigation assisted spine surgery
In: Medical Physics (2022)
ISSN: 0094-2405
DOI: 10.1002/mp.15617
Nitschke M., Dorschky E., Eskofier B., Koelewijn A., van den Bogert AJ.:
Trajectory Optimization of a 3D Musculoskeletal Model with Inertial Sensors
XXVIII Congress of the International Society of Biomechanics (ISB) (Online, 2021-07-25 - 2021-07-29)
URL: https://www.mad.tf.fau.de/files/2021/07/nitschke_isb_2021_abstract.pdf
Klement M., Engel M.:
Efficient equilibration of hard spheres with Newtonian event chains
In: Journal of Chemical Physics 150 (2019), Article No.: 174108
ISSN: 0021-9606
DOI: 10.1063/1.5090882
Reinhard PG., Dundas D., Dinh PM., Vincendon M., Suraud E.:
Unexpected dipole instabilities in small molecules after ultrafast XUV irradiation
In: Physical Review A 107 (2023), Article No.: L020801
ISSN: 1050-2947
DOI: 10.1103/PhysRevA.107.L020801
Kleinert T., Schmidt M.:
Computing Feasible Points of Bilevel Problems with a Penalty Alternating Direction Method
In: Informs Journal on Computing (2020)
ISSN: 1091-9856
DOI: 10.1287/ijoc.2019.0945
URL: https://pubsonline.informs.org/doi/10.1287/ijoc.2019.0945
Halbig K., Hümbs L., Rösel F., Schewe L., Weninger D.:
Computing optimality certificates for convex mixed-integer nonlinear problems
(2021)
URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/476/
Nitschke M., Marzilger R., Leyendecker S., Eskofier B., Koelewijn A.:
Change the direction: 3D optimal control simulation by directly tracking marker and ground reaction force data
In: PeerJ (2023)
ISSN: 2167-8359
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Quantum Dissipative Dynamics (QDD): A real-time real-space approach to far-off-equilibrium dynamics in finite electron systems
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Solving AC Optimal Power Flow with Discrete Decisions to Global Optimality
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A Gradient-Based Method for Joint Chance-Constrained Optimization with Continuous Distributions
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Aigner KM., Bärmann A., Braun K., Liers F., Pokutta S., Schneider O., Sharma K., Tschuppik S.:
Data-driven Distributionally Robust Optimization over Time
In: INFORMS Journal on Optimization (2023)
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Higgoda U., Hellmann R., Koller TM., Fröba AP.:
Self-diffusion coefficient and viscosity of methane and carbon dioxide via molecular dynamics simulations based on new ab initio-derived force fields
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Higgoda U., Hewa Kankanamge CJK., Hellmann R., Koller TM., Fröba AP.:
Fick diffusion coefficients of binary fluid mixtures consisting of methane, carbon dioxide, and propane via molecular dynamics simulations based on simplified pair-specific ab initio-derived force fields
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Koch M., Sommer C., Blindow N., Lutz K., Skvarca P., Ruiz L., Rizzoli P., Bueso-Bello JL., Fürst J., Braun M.:
The state and fate of Glaciar Perito Moreno Patagonia
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Wang C., Nitschke M., Stefanyshyn D., Wannop JW., Luckfiel T., Schlarb H., Koelewijn A.:
Prediction of the effect of stack height on running biomechanics using optimal control simulation
Footwear Biomechanics Symposium (FBS) 2023 (Osaka, Japan, 2023-07-26 - 2023-07-28)
In: Footwear Science 2023
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Schmid M., Braun S., Sollacher R., Hartmann M.:
Highly efficient encoding for job-shop scheduling problems and its application on quantum computers
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Higgoda U., Hellmann R., Koller TM., Fröba AP.:
Enhancement of the predictive power of molecular dynamics simulations for the determination of self-diffusion coefficient and viscosity demonstrated for propane
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Aigner KM., Clarner JP., Liers F., Martin A.:
Robust Approximation of Chance Constrained DC Optimal Power Flow under Decision-Dependent Uncertainty
In: European Journal of Operational Research (2022)
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Mai Dinh P., Vincendon M., Heraud J., Suraud E., Reinhard PG.:
Far Off Equilibrium Dynamics in Clusters and Molecules
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Nitschke M., Mayer M., Dorschky E., Koelewijn A.:
How many sensors are enough? Trajectory optimization using sparse inertial sensor sets
9th World Congress of Biomechanics 2022 Taipei (Taipei, 2022-07-10 - 2022-07-14)
URL: https://www.youtube.com/watch?v=TznVCgK4DF0
Gasparini N., Camargo FV., Frühwald S., Nagahara T., Classen A., Roland S., Wadsworth A., Gregoriou VG., Chochos CL., Neher D., Salvador M., Baran D., McCulloch I., Görling A., Lüer L., Cerullo G., Brabec C.:
Adjusting the energy of interfacial states in organic photovoltaics for maximum efficiency
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Particle Shape Control via Etching of Core@Shell Nanocrystals
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Bommineni PK., Varela-Rosales NR., Klement M., Engel M.:
Complex Crystals from Size-Disperse Spheres
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Vincendon M., Reinhard PG., Suraud E.:
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Triggering the energy release in molecular solar thermal systems: Norbornadiene-functionalized trioxatriangulen on Au(111)
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Rounce DR., Hock R., McNabb RW., Millan R., Sommer C., Braun M., Malz P., Maussion F., Mouginot J., Seehaus T., Shean DE.:
Distributed Global Debris Thickness Estimates Reveal Debris Significantly Impacts Glacier Mass Balance
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Yang Z., Markl M., Körner C.:
Predictive simulation of bulk metallic glass crystallization during laser powder bed fusion
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Malz P., Sommer C., Seehaus T., Farías-Barahona D., Braun M.:
Global glacier surface elevation change and geodetic mass balance estimations
13th European Conference on Synthetic Aperture Radar, EUSAR 2021 (Virtual, 2021-03-29 - 2021-04-01)
In: Proceedings of the European Conference on Synthetic Aperture Radar, EUSAR 2021
Reinhard PG., Roca-Maza X., Nazarewicz W.:
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Observing glacier elevation changes from spaceborne optical and radar sensors - an inter-comparison experiment using ASTER and TanDEM-X data
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Elucidating activating and deactivating effects of carboxylic acids on polyoxometalate-catalysed three-phase liquid–liquid-gas reactions
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Progress towards a realistic theoretical description of C60 photoelectron-momentum imaging experiments using time-dependent density-functional theory
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On electricity market equilibria with storage: Modeling, uniqueness, and a distributed ADMM
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Haines P., Kaur R., Martin M., Minameyer M., Frühwald S., Bönisch S., Lungerich D., Hampel F., Görling A., Drewello T., Jux N., Guldi DM.:
Screening Nanographene-Mediated Inter(Porphyrin) Communication to Optimize Inter(Porphyrin–Fullerene) Forces
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Reinhard PG., Suraud É.:
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Nitschke M., Dorschky E., Leyendecker S., Eskofier B., Koelewijn A.:
Estimating 3D kinematics and kinetics from virtual inertial sensor data through musculoskeletal movement simulations
In: Frontiers in Bioengineering and Biotechnology 12 (2024)
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Wormser M., Wein F., Stingl M., Körner C.:
Design and Additive Manufacturing of 3D Phononic Band Gap Structures Based on Gradient Based Optimization
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Reinhard PG., Dinh PM., Dundas D., Suraud E., Vincendon M.:
On the stability of hole states in molecules and clusters
In: European Physical Journal - Special Topics (2022)
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Gambietz M., Nitschke M., Miehling J., Koelewijn A.:
What should a metabolic energy model look like? Sensitivity of metabolic energy model parameters during gait
9th World Congress of Biomechanics 2022 Taipei (Taipei, 2022-07-10 - 2022-07-14)
Kleinert T., Grimm V., Schmidt M.:
Outer Approximation for Global Optimization of Mixed-Integer Quadratic Bilevel Problems
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Heraud J., Vincendon M., Reinhard PG., Dinh PM., Suraud E.:
Emission and collisional correlation in far-off equilibrium quantum systems
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Wang J., Mbah Chrameh F., Przybilla T., Apeleo Zubiri B., Spiecker E., Engel M., Vogel N.:
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Reinhard PG., Nazarewicz W.:
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Aigner KM., Schaumann P., von Loeper F., Martin A., Schmidt V., Liers F.:
Robust DC Optimal Power Flow with Modeling of Solar Power Supply Uncertainty via R-Vine Copulas
In: Optimization and Engineering (2022)
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Dinh PM., Lacombe L., Reinhard PG., Suraud E., Vincendon M.:
On the inclusion of dissipation on top of mean-field approaches
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Reinhard PG., Roca-Maza X., Nazarewicz W.:
Combined Theoretical Analysis of the Parity-Violating Asymmetry for Ca 48 and Pb 208
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Nitschke M., Luckfiel T., Schlarb H., Dorschky E., Koelewijn A.:
Prediction of the effect of midsole stiffness and energy return using trajectory optimisation
15th biennial Footwear Biomechanics Symposium (Online, 2021-07-21 - 2021-07-23)
In: Footwear Science 2021
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Fusek L., Kastenmeier M., Franz E., Fromm L., Görling A., Brummel O., Libuda J.:
Anchoring of porphyrins on atomically defined cobalt oxide: In-situ infrared spectroscopy at the electrified solid/liquid interface
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Seehaus T., Sommer C., Dethinne T., Malz P.:
Mass changes of the northern Antarctic Peninsula Ice Sheet derived from repeat bi-static synthetic aperture radar acquisitions for the period 2013–2017
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Shahateet K., Seehaus T., Navarro F., Sommer C., Braun M.:
Geodetic Mass Balance of the South Shetland Islands Ice Caps, Antarctica, from Differencing TanDEM-X DEMs
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Minameyer M., Xu Y., Frühwald S., Görling A., von Delius M., Drewello T.:
Investigation of Cycloparaphenylenes (CPPs) and their Noncovalent Ring-in-Ring and Fullerene-in-Ring Complexes by (Matrix-Assisted) Laser Desorption/Ionization and Density Functional Theory
In: Chemistry - A European Journal (2020)
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Handke M., Beierlein F., Imhof P., Schiedel M., Hammann S.:
New fluorogenic triacylglycerols as sensors for dynamic measurement of lipid oxidation
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Abeßer J., Balke S., Frieler K., Pfleiderer M., Müller M.:
Deep Learning for Jazz Walking Bass Transcription
In: Proceedings of the AES Conference on Semantic Audio, Erlangen, Germany: 2017
Gourmelon N., Klink J., Seehaus T., Braun M., Maier A., Christlein V.:
Conditional Random Fields for Improving Deep Learning-based Glacier Calving Front Delineations
International Geoscience and Remote Sensing Symposium 2023 (Pasadena, California, 2023-07-16 - 2023-07-21)
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Eberlein L., Beierlein F., van Eikema Hommes N., Radadiya A., Heil J., Benner SA., Clark T., Kast SM., Richards NG.:
Tautomeric Equilibria of Nucleobases in the Hachimoji Expanded Genetic Alphabet
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Amador Balderas JA., Beierlein F., Horn A., Volkenandt S., Völcker L., Mokhtari N., Epee Ndongue JC., Imhof P.:
Mode of Metal Ligation Governs Inhibition of Carboxypeptidase A
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Hanzevacki M., Čondić-Jurkić K., Banhatti RD., Smith AS., Smith DM.:
The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate-Lyase
In: Chemistry - A European Journal (2019)
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Tropper M., Höhn S., Wolf LS., Fritsch J., Kastner-Detter N., Rieck C., Munkert J., Meitinger N., Lanig H., Kreis W.:
21-Hydroxypregnane 21-O-malonylation, a crucial step in cardenolide biosynthesis, can be achieved by substrate-promiscuous BAHD-type phenolic glucoside malonyltransferases from Arabidopsis thaliana and homolog proteins from Digitalis lanata
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Conrad M., Söldner C., Miao Y., Sticht H.:
Agonist binding and g protein coupling in histamine h2 receptor: A molecular dynamics study
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Wu F., Gourmelon N., Seehaus T., Zhang J., Braun M., Maier A., Christlein V.:
AMD-HookNet for Glacier Front Segmentation
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Pfenning S., Simpetru R., Pollak N., Del Vecchio A., Fey D.:
ANALYSIS OF EMBEDDED GPU ARCHITECTURES FOR AI IN NEUROMUSCULAR APPLICATIONS
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Hewa Kankanamge CJK., Zhan T., Piszko M., Klein T., Fröba AP.:
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Piszko M., Lenahan F., Steinacker SL., Klein T., Fröba AP.:
Diffusivities in Binary Mixtures of Ammonia Dissolved in n-Hexane, 1-Hexanol, or Cyclohexane Determined by Dynamic Light Scattering and Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 68 (2023), p. 2585–2598
ISSN: 0021-9568
DOI: 10.1021/acs.jced.3c00437
Simpetru R., März M., Del Vecchio A.:
Proportional and Simultaneous Real-Time Control of the Full Human Hand From High-Density Electromyography
In: IEEE Transactions on Neural Systems and Rehabilitation Engineering 31 (2023), p. 3118-3131
ISSN: 1534-4320
DOI: 10.1109/TNSRE.2023.3295060
Piszko M., Lenahan F., Dennstädt C., Klein T., Fröba AP.:
Mutual and Thermal Diffusivities in Binary Mixtures of n-Hexane or 1-Hexanol with Krypton, R143a, or Sulfur Hexafluoride by Using Dynamic Light Scattering and Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 68 (2023), p. 1343-1357
ISSN: 0021-9568
DOI: 10.1021/acs.jced.3c00143
Piszko M., Lenahan F., Klein T., Fröba AP.:
Diffusivities in Binary Mixtures of Cyclohexane or Ethyl Butanoate with Dissolved CH4 or R143a Close to Infinite Dilution
In: Journal of Chemical and Engineering Data 68 (2023), p. 339-348
ISSN: 0021-9568
DOI: 10.1021/acs.jced.2c00696
Harrer M., Franke L., Fink L., Stamminger M., Weyrich T.:
Inovis: Instant Novel-View Synthesis
SIGGRAPH Asia 2023 Sydney (Sydney, 2023-12-12 - 2023-12-15)
In: Association for Computing Machinery (ed.): ACM SIGGRAPH Asia 2023 Conference Proceedings 2023
DOI: 10.1145/3610548.3618216
URL: https://reality.tf.fau.de/publications/2023/harrerfranke2023inovis
Simpetru R., Arkudas A., Braun D., Oßwald M., Souza de Oliveira D., Eskofier B., Kinfe TM., Del Vecchio A.:
Learning a Hand Model from Dynamic Movements Using High-Density EMG and Convolutional Neural Networks
In: IEEE Transactions on Biomedical Engineering (2024), p. 1-12
ISSN: 0018-9294
DOI: 10.1109/TBME.2024.3432800
Zalkow F.:
Learning Audio Representations for Cross-Version Retrieval of Western Classical Music (Dissertation, 2021)
URL: https://nbn-resolving.org/urn:nbn:de:bvb:29-opus4-167774
Beierlein F., Horn A., Sticht H., Mokhir A., Imhof P.:
In Silico Study of Camptothecin-Based Pro-Drugs Binding to Human Carboxylesterase 2
In: Biomolecules 14 (2024), Article No.: 153
ISSN: 2218-273X
DOI: 10.3390/biom14020153
Söldner C., Horn A., Sticht H.:
A Metadynamics-Based Protocol for the Determination of GPCR-Ligand Binding Modes
In: International Journal of Molecular Sciences 20 (2019)
ISSN: 1422-0067
DOI: 10.3390/ijms20081970
Pröschel M., Kraner M., Horn A., Schäfer L., Sonnewald U., Sticht H.:
Probing the potential of CnaB-type domains for the design of tag/catcher systems
In: PLoS ONE 12 (2017)
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0179740
Krause M., Müller M., Weiß C.:
Towards Leitmotif Activity Detection in Opera Recordings
In: Transactions of the International Society for Music Information Retrieval 4 (2021), p. 127-140
ISSN: 2514-3298
DOI: 10.5334/tismir.116
Söldner C., Horn A., Sticht H.:
Binding of histamine to the H1 receptora molecular dynamics study
In: Journal of Molecular Modeling 24 (2018)
ISSN: 1610-2940
DOI: 10.1007/s00894-018-3873-7
Simpetru R., Oßwald M., Braun D., Souza de Oliveira D., Cakici A., Del Vecchio A.:
Accurate Continuous Prediction of 14 Degrees of Freedom of the Hand from Myoelectrical Signals through Convolutive Deep Learning
44th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, EMBC 2022 (Scottish Event Campus, Glasgow, UK, 2022-07-11 - 2023-07-15)
DOI: 10.1109/EMBC48229.2022.9870937
Fleischmann S., Dietz S., Shanbhag J., Wünsch A., Nitschke M., Miehling J., Wartzack S., Leyendecker S., Eskofier B., Koelewijn A.:
Exploring Dataset Bias and Scaling Techniques in Multi-Source Gait Biomechanics: An Explainable Machine Learning Approach
In: ACM Transactions on Intelligent Systems and Technology 20 (2024), Article No.: 20
ISSN: 2157-6904
DOI: 10.1145/3702646
Beudert M., Hahn L., Horn A., Hauptstein N., Sticht H., Meinel L., Luxenhofer R., Gutmann M., Luehmann T.:
Merging bioresponsive release of insulin-like growth factor I with 3D printable thermogelling hydrogels
In: Journal of Controlled Release 347 (2022), p. 115-126
ISSN: 0168-3659
DOI: 10.1016/j.jconrel.2022.04.028
Conrad M., Söldner C., Sticht H.:
Effect of Ions and Sequence Variants on the Antagonist Binding Properties of the Histamine H1 Receptor
In: International Journal of Molecular Sciences 23 (2022), Article No.: 1420
ISSN: 1422-0067
DOI: 10.3390/ijms23031420
Sandmann A., Sticht H.:
Probing the role of intercalating protein sidechains for kink formation in DNA
In: PLoS ONE 13 (2018)
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0192605
Beierlein F., Volkenandt S., Imhof P.:
Oxidation Enhances Binding of Extrahelical 5-Methyl-Cytosines by Thymine DNA Glycosylase
In: Journal of Physical Chemistry B 126 (2022), p. 1188-1201
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.1c09896
Choithwani M., Almeida S., Egger B.:
PoseBias: On Dataset Bias and Task Difficulty - Is there an Optimal Camera Position for Facial Image Analysis?
2023 IEEE/CVF International Conference on Computer Vision Workshops, ICCVW 2023 (Paris, 2023-10-02 - 2023-10-06)
In: 2023 IEEE/CVF International Conference on Computer Vision Workshops (ICCVW) 2023
DOI: 10.1109/ICCVW60793.2023.00334
Schwinn L., Nguyen A., Raab R., Zanca D., Eskofier B., Tenbrinck D., Burger M.:
Dynamically Sampled Nonlocal Gradients for Stronger Adversarial Attacks
International Joint Conference on Neural Networks (IJCNN) (Online, 2021-07-18 - 2021-07-22)
DOI: 10.1109/ijcnn52387.2021.9534190
Lenahan F., Piszko M., Klein T., Fröba AP.:
Molecular dynamics simulations of liquid ethane up to 298.15 K
In: Molecular Physics (2023), Article No.: e2211401
ISSN: 0026-8976
DOI: 10.1080/00268976.2023.2211401
Balke S., Dittmar C., Abeßer J., Müller M.:
Data-Driven Solo Voice Enhancement for Jazz Music Retrieval
In: Proceedings of the IEEE International Conference on Acoustics, Speech, and Signal Processing (ICASSP) 2017
Hanzevacki M., Banhatti RD., Čondić-Jurkić K., Smith AS., Smith DM.:
Exploring Reactive Conformations of Coenzyme A during Binding and Unbinding to Pyruvate Formate-Lyase
In: Journal of Physical Chemistry A (2019)
ISSN: 1520-5215
DOI: 10.1021/acs.jpca.9b06913
Klemt I., Reshetnikov V., Dutta S., Bila G., Bilyy R., Cuartero IC., Hidalgo A., Wünsche A., Böhm M., Wondrak M., Kunz-Schughart LA., Tietze R., Beierlein F., Imhof P., Gensberger-Reigl S., Pischetsrieder M., Körber M., Jost T., Mokhir A.:
A concept of dual-responsive prodrugs based on oligomerization-controlled reactivity of ester groups: an improvement of cancer cells versus neutrophils selectivity of camptothecin
In: RSC Medicinal Chemistry (2024)
ISSN: 2632-8682
DOI: 10.1039/d3md00609c
Söldner C., Horn A., Sticht H.:
Interaction of Glycolipids with the Macrophage Surface Receptor Mincle - a Systematic Molecular Dynamics Study
In: Scientific Reports 8 (2018)
ISSN: 2045-2322
DOI: 10.1038/s41598-018-23624-8
Konieczny A., Conrad M., Ertl FJ., Gleixner J., Gattor AO., Grätz L., Schmidt MF., Neu E., Horn A., Wifling D., Gmeiner P., Clark T., Sticht H., Keller M.:
N-Terminus to Arginine Side-Chain Cyclization of Linear Peptidic Neuropeptide y Y4Receptor Ligands Results in Picomolar Binding Constants
In: Journal of Medicinal Chemistry 64 (2021), p. 16746-16769
ISSN: 0022-2623
DOI: 10.1021/acs.jmedchem.1c01574
Peters B., Stein J., Klingl S., Sander N., Sandmann A., Taccardi N., Sticht H., Gerlach RG., Muller Y., Hensel M.:
Structural and functional dissection reveals distinct roles of Ca2+-binding sites in the giant adhesin SiiE of Salmonella enterica
In: PLoS Pathogens 13 (2017), Article No.: e1006418
ISSN: 1553-7366
DOI: 10.1371/journal.ppat.1006418
Hardwick JS., Haugland MM., El-Sagheer AH., Ptchelkine D., Beierlein F., Lane AN., Brown T., Lovett JE., Anderson EA.:
2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis
In: Nucleic Acids Research 48 (2020), p. 2830-2840
ISSN: 0305-1048
DOI: 10.1093/nar/gkaa086
Krause M., Müller M., Weiß C.:
Singing Voice Detection in Opera Recordings: A Case Study on Robustness and Generalization
In: Electronics 10 (2021)
ISSN: 2079-9292
DOI: 10.3390/electronics10101214
Aillaud I., Kaniyappan S., Chandupatla RR., Ramirez LM., Alkhashrom S., Eichler J., Horn A., Zweckstetter M., Mandelkow E., Sticht H., Funke SA.:
A novel D-amino acid peptide with therapeutic potential (ISAD1) inhibits aggregation of neurotoxic disease-relevant mutant Tau and prevents Tau toxicity in vitro
In: Alzheimer's Research and Therapy 14 (2022)
ISSN: 1758-9193
DOI: 10.1186/s13195-022-00959-z
Simpetru R., Cnejevici V., Farina D., Del Vecchio A.:
Influence of spatio-temporal filtering on hand kinematics estimation from high-density EMG signals
In: Journal of Neural Engineering 21 (2024), p. 026014
ISSN: 1741-2560
DOI: 10.1088/1741-2552/ad3498
Diewald B., Socher E., Söldner C., Sticht H.:
Conformational Dynamics of Herpesviral NEC Proteins in Different Oligomerization States
In: International Journal of Molecular Sciences 19 (2018)
ISSN: 1422-0067
DOI: 10.3390/ijms19102908
Malhis M., Kaniyappan S., Aillaud I., Chandupatla RR., Ramirez LM., Zweckstetter M., Horn A., Mandelkow E., Sticht H., Funke SA.:
Potent Tau Aggregation Inhibitor D-Peptides Selected against Tau-Repeat 2 Using Mirror Image Phage Display
In: ChemBioChem (2021)
ISSN: 1439-4227
DOI: 10.1002/cbic.202100287
Folle L., Vesal S., Ravikumar N., Maier A.:
Dilated deeply supervised networks for hippocampus segmentation in MRI
Workshop on Bildverarbeitung fur die Medizin, 2019 (Lübeck, 2019-03-17 - 2019-03-19)
In: Thomas M. Deserno, Andreas Maier, Christoph Palm, Heinz Handels, Klaus H. Maier-Hein, Thomas Tolxdorff (ed.): Informatik aktuell 2019
DOI: 10.1007/978-3-658-25326-4_18
Raucheisen M., Attia D., Körber M., Crevillén AA., Hidalgo A., Beierlein F., Imhof P., Mokhir A.:
Mitochondria-Catalyzed Activation of Anticancer Prodrugs
In: ChemCatChem (2025)
ISSN: 1867-3880
DOI: 10.1002/cctc.202500054
Simpetru R., Souza de Oliveira D., Ponfick M., Del Vecchio A.:
Identification of Spared and Proportionally Controllable Hand Motor Dimensions in Motor Complete Spinal Cord Injuries Using Latent Manifold Analysis
In: IEEE Transactions on Neural Systems and Rehabilitation Engineering 32 (2024), p. 3741-3750
ISSN: 1534-4320
DOI: 10.1109/TNSRE.2024.3472063
Link J., Schwinn L., Pulsmeyer F., Kautz T., Eskofier B.:
xLength: Predicting Expected Ski Jump Length Shortly after Take-Off Using Deep Learning
In: Sensors 22 (2022), Article No.: 8474
ISSN: 1424-8220
DOI: 10.3390/s22218474
Balke S., Dittmar C., Müller M.:
Ansätze zur datengetriebenen Transkription einstimmiger Jazzsoli
In: Proceedings of the Deutsche Jahrestagung für Akustik (DAGA), München, Germany: 2018
Nishimura T., Dogaru A., Egger B.:
ArCSEM: Artistic Colorization of SEM Images via Gaussian Splatting
AI for Visual Arts Workshop and Challenges (AI4VA) in conjunction with European Conference on Computer Vision (ECCV) 2024, Milano, Italy (Mailand, 2024-09-29 - 2024-09-29)
Open Access: https://arxiv.org/pdf/2410.21310
Zalkow F., Müller M.:
CTC-Based Learning of Chroma Features for Score-Audio Music Retrieval
In: IEEE/ACM Transactions on Audio, Speech and Language Processing 29 (2021), p. 2957-2971
ISSN: 2329-9290
DOI: 10.1109/TASLP.2021.3110137
Sarcletti M., Vivod D., Luchs T., Rejek T., Portilla Berlanga L., Müller L., Dietrich H., Hirsch A., Zahn D., Halik M.:
Superoleophilic Magnetic Iron Oxide Nanoparticles for Effective Hydrocarbon Removal from Water
In: Advanced Functional Materials (2019)
ISSN: 1616-301X
DOI: 10.1002/adfm.201805742
URL: https://onlinelibrary.wiley.com/doi/10.1002/adfm.201805742
Link J., Perst T., Stöve M., Eskofier B.:
Wearable Sensors for Activity Recognition in Ultimate Frisbee Using Convolutional Neural Networks and Transfer Learning
In: Sensors 22 (2022), p. 2560
ISSN: 1424-8220
DOI: 10.3390/s22072560
Sarcletti M., Park H., Wirth J., Englisch S., Eigen A., Drobek D., Vivod D., Friedrich B., Tietze R., Alexiou C., Zahn D., Apeleo Zubiri B., Spiecker E., Halik M.:
The remediation of nano-/microplastics from water
In: Materials Today (2021)
ISSN: 1369-7021
DOI: 10.1016/j.mattod.2021.02.020
URL: https://www.sciencedirect.com/science/article/pii/S1369702121000821
Huraskin D., Horn A.:
Alkali ion influence on structure and stability of fibrillar amyloid-beta oligomers
In: Journal of Molecular Modeling 25 (2019), Article No.: 37
ISSN: 1610-2940
DOI: 10.1007/s00894-018-3920-4
Ge C., Weisse S., Xu B., Dobritzsch D., Viljanen J., Kihlberg J., Do NN., Schneider N., Lanig H., Holmdahl R., Burkhardt H.:
Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor
In: Annals of the Rheumatic Diseases (2022)
ISSN: 0003-4967
DOI: 10.1136/annrheumdis-2021-220500
Bochicchio A., Brandner A., Engberg O., Huster D., Böckmann R.:
Spontaneous Membrane Nanodomain Formation in the Absence or Presence of the Neurotransmitter Serotonin
In: Frontiers in Cell and Developmental Biology 8 (2020), Article No.: 601145
ISSN: 2296-634X
DOI: 10.3389/fcell.2020.601145
Park H., Kim JH., Vivod D., Kim S., Mirzaei A., Zahn D., Park C., Halik M., Kim SS.:
Chemical-recognition-driven selectivity of SnO2-nanowire-based gas sensors
In: Nano Today (2021)
ISSN: 1748-0132
DOI: 10.1016/j.nantod.2021.101265
URL: https://www.sciencedirect.com/science/article/abs/pii/S1748013221001900
Zürl M., Stoll P., Brehm I., Raab R., Zanca D., Kabri S., Happold J., Nille H., Prechtel K., Wünsch S., Krause M., Seegerer S., von Fersen L., Eskofier B.:
Automated Video-Based Analysis Framework for Behavior Monitoring of Individual Animals in Zoos Using Deep Learning—A Study on Polar Bears
In: Animals 12 (2022), p. 692
ISSN: 2076-2615
DOI: 10.3390/ani12060692
Socher E., Conrad M., Heger L., Paulsen F., Sticht H., Zunke F., Arnold P.:
Mutations in the B.1.1.7 SARS-CoV-2 Spike Protein Reduce Receptor-Binding Affinity and Induce a Flexible Link to the Fusion Peptide
In: Biomedicines 9 (2021)
ISSN: 2227-9059
DOI: 10.3390/biomedicines9050525
URL: https://www.mdpi.com/2227-9059/9/5/525/xml
Kicuntod J., Alkhashrom S., Häge S., Diewald B., Müller R., Hahn F., Lischka P., Sticht H., Eichler J., Marschall M.:
Properties of Oligomeric Interaction of the Cytomegalovirus Core Nuclear Egress Complex (NEC) and Its Sensitivity to an NEC Inhibitory Small Molecule
In: Viruses 13 (2021)
ISSN: 1999-4915
DOI: 10.3390/v13030462
Peters B., Stein J., Klingl S., Sander N., Sandmann A., Taccardi N., Sticht H., Gerlach R., Muller Y., Hensel M.:
Structural and functional dissection reveals distinct roles of Ca2+-binding sites in the giant adhesin SiiE of Salmonella enterica
In: PLoS Pathogens 13 (2017), Article No.: e1006418
ISSN: 1553-7366
DOI: 10.1371/journal.ppat.1006418
URL: https://journals.plos.org/plospathogens/article?id=10.1371/journal.ppat.1006418
Zalkow F., Müller M.:
Using Weakly Aligned Score—Audio Pairs to Train Deep Chroma Models for Cross-Modal Music Retrieval
International Society for Music Information Retrieval Conference
DOI: 10.5281/zenodo.4245400
Zalkow F., Müller M.:
Learning low-dimensional embeddings of audio shingles for cross-version retrieval of classical music
In: Applied Sciences 10 (2020), Article No.: 19
ISSN: 2076-3417
DOI: 10.3390/app10010019
Volkenandt S., Beierlein F., Imhof P.:
Interaction of thymine dna glycosylase with oxidised 5-methyl-cytosines in their amino-and imino-forms
In: Molecules 26 (2021), Article No.: 5728
ISSN: 1420-3049
DOI: 10.3390/molecules26195728
Lenahan F., Piszko M., Klein T., Fröba AP.:
Diffusivities in Binary Mixtures of n-Decane, n-Hexadecane, n-Octacosane, 2-Methylpentane, 2,2-Dimethylbutane, Cyclohexane, Benzene, Ethanol, 1-Decanol, Ethyl Butanoate, or n-Hexanoic Acid with Dissolved He or Kr Close to Infinite Dilution
In: Journal of Chemical and Engineering Data 67 (2022), p. 622-635
ISSN: 0021-9568
DOI: 10.1021/acs.jced.1c00922
Herrmann O., Gourmelon N., Seehaus T., Maier A., Fürst J., Braun M., Christlein V.:
Out-of-the-box Calving Front Detection Method Using Deep Learning
In: Cryosphere 17 (2023), p. 4957–4977
ISSN: 1994-0416
DOI: 10.5194/tc-17-4957-2023
Hawly T., Streller F., Johnson M., Miguez Lago S., Hammer N., Hampel F., Vivod D., Zahn D., Kivala M., Branscheid R., Spiecker E., Fink R.:
Tailored solution‐based N‐heterotriangulene thin films: Unravelling the self‐assembly
In: ChemPhysChem (2021), Article No.: cphc.202100164
ISSN: 1439-4235
DOI: 10.1002/cphc.202100164
Trollmann M., Böckmann R.:
Characterization of a lipid nanoparticle for mRNA delivery using molecular dynamics
In: EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, NEW YORK: 2021
Socher E., Conrad M., Heger L., Paulsen F., Sticht H., Zunke F., Arnold P.:
Computational decomposition reveals reshaping of the SARS‐CoV‐2–ACE2 interface among viral variants expressing the N501Y mutation
In: Journal of Cellular Biochemistry (2021)
ISSN: 0730-2312
DOI: 10.1002/jcb.30142
Söldner C., Sticht H., Horn A.:
Role of the N-terminus for the stability of an amyloid-β fibril with three-fold symmetry
In: PLoS ONE 12 (2017)
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0186347
Trollmann M., Böckmann R.:
mRNA lipid nanoparticle phase transition
In: Biophysical Journal (2022)
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2022.08.037
Socher E., Heger L., Paulsen F., Zunke F., Arnold P.:
Molecular dynamics simulations of the delta and omicron SARS-CoV-2 spike – ACE2 complexes reveal distinct changes between both variants
In: Computational and Structural Biotechnology Journal 20 (2022), p. 1168-1176
ISSN: 2001-0370
DOI: 10.1016/j.csbj.2022.02.015

Boonsawat P., Horn AHC., Steindl K., Baumer A., Joset P., Kraemer D., Bahr A., Ivanovski I., Cabello EM., Papik M., Zweier M., Oneda B., Sirleto P., Burkhardt T., Sticht H., Rauch A.:
Assessing clinical utility of preconception expanded carrier screening regarding residual risk for neurodevelopmental disorders
In: npj Genomic Medicine 7 (2022), Article No.: 45
ISSN: 2056-7944
DOI: 10.1038/s41525-022-00316-x
Patel T., Wagenhäuser A., Eibel C., Hönig T., Zeiser T., Tiwari D.:
What does Power Consumption Behavior of HPC Jobs Reveal?: Demystifying, Quantifying, and Predicting Power Consumption Characteristics
34th IEEE International Parallel and Distributed Processing Symposium, IPDPS 2020 (New Orleans, LA, 2020-05-18 - 2020-05-22)
In: Proceedings - 2020 IEEE 34th International Parallel and Distributed Processing Symposium, IPDPS 2020 2020
DOI: 10.1109/IPDPS47924.2020.00087
Taccardi N., Grabau M., Debuschewitz J., Distaso M., Brandl M., Hock R., Maier F., Papp C., Erhard J., Neiß C., Peukert W., Görling A., Steinrück HP., Wasserscheid P.:
Gallium-rich Pd-Ga phases as supported liquid metal catalysts
In: Nature chemistry 9 (2017), p. 862-867
ISSN: 1755-4349
DOI: 10.1038/nchem.2822
Kettner M., Maisel S., Stumm C., Schwarz M., Schuschke C., Görling A., Libuda J.:
Pd-Ga model SCALMS: Characterization and stability of Pd single atom sites
In: Journal of Catalysis 369 (2019), p. 33-46
ISSN: 0021-9517
DOI: 10.1016/j.jcat.2018.10.027
Turton J., Mölg T., Collier E.:
High-resolution (1 km) Polar WRF output for 79° N Glacier and the northeast of Greenland from 2014 to 2018
In: Earth System Science Data 12 (2020), p. 1191-1202
ISSN: 1866-3508
DOI: 10.5194/essd-12-1191-2020
URL: https://www.earth-syst-sci-data.net/12/1191/2020/essd-12-1191-2020.html
Conrad M., Söldner C., Miao Y., Sticht H.:
Agonist binding and g protein coupling in histamine h2 receptor: A molecular dynamics study
In: International Journal of Molecular Sciences 21 (2020), p. 1-18
ISSN: 1422-0067
DOI: 10.3390/ijms21186693
Sadeghi H., Döllinger M., Kaltenbacher M., Kniesburges S.:
Aerodynamic impact of the ventricular folds in computational larynx models
In: Journal of the Acoustical Society of America 145 (2019), p. 2376-2387
ISSN: 0001-4966
DOI: 10.1121/1.5098775
Schuschke C., Fromm L., Träg J., Stumm C., Hohner C., Eschenbacher R., Grau S., Zahn D., Görling A., Bauer T., Libuda J.:
A Molecular View of the Ionic Liquid Catalyst Interface of SCILLs: Coverage-Dependent Adsorption Motifs of [C4C1Pyr][NTf2] on Pd Single Crystals and Nanoparticles
In: Journal of Physical Chemistry C (2021)
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.1c02131
Höring C., Conrad M., Söldner C., Wang J., Sticht H., Strasser A., Miao Y.:
Specific engineered G protein coupling to histamine receptors revealed from cellular assay experiments and accelerated molecular dynamics simulations
In: International Journal of Molecular Sciences 22 (2021), Article No.: 10047
ISSN: 1422-0067
DOI: 10.3390/ijms221810047
Namakchian M., Kaßler K., Sticht H., Hensel M., Deiwick J.:
Structure-based functional analysis of effector protein SifA in living cells reveals motifs important for Salmonella intracellular proliferation
In: International Journal of Medical Microbiology 308 (2018), p. 84-96
ISSN: 1438-4221
DOI: 10.1016/j.ijmm.2017.09.004
Duchstein P., Ectors P., Zahn D.:
Molecular simulations of crystal growth: From understanding to tailoring
In: Advances in Inorganic Chemistry 73 (2019), p. 507-529
ISSN: 0898-8838
DOI: 10.1016/bs.adioch.2018.11.004
Trushin E., Fromm L., Görling A.:
Assessment of the exact-exchange-only Kohn-Sham method for the calculation of band structures for transition metal oxide and metal halide perovskites
In: Physical Review B 100 (2019)
ISSN: 0163-1829
DOI: 10.1103/PhysRevB.100.075205
Werner L., Rettinger C., Rüde U.:
Coupling fully resolved light particles with the lattice Boltzmann method on adaptively refined grids
In: International Journal For Numerical Methods in Fluids (2021)
ISSN: 0271-2091
DOI: 10.1002/fld.5034
Boonsawat P., Asadollahi R., Niedrist D., Steindl K., Begemann A., Joset P., Bhoj EJ., Li D., Zackai E., Vetro A., Barba C., Guerrini R., Whalen S., Keren B., Khan A., Jing D., Palomares Bralo M., Rikeros Orozco E., Hao Q., Schlott Kristiansen B., Zheng B., Donnelly D., Clowes V., Zweier M., Papik M., Siegel G., Sabatino V., Mocera M., Horn AH., Sticht H., Rauch A.:
Deleterious ZNRF3 germline variants cause neurodevelopmental disorders with mirror brain phenotypes via domain-specific effects on Wnt/β-catenin signaling
In: American Journal of Human Genetics (2024)
ISSN: 0002-9297
DOI: 10.1016/j.ajhg.2024.07.016
Sadeghi H., Kniesburges S., Falk S., Kaltenbacher M., Schützenberger A., Döllinger M.:
Towards a clinically applicable computational larynx model
In: Applied Sciences 9 (2019), Article No.: 2288
ISSN: 2076-3417
DOI: 10.3390/app9112288
Söldner C., Horn A., Sticht H.:
Binding of histamine to the H1 receptora molecular dynamics study
In: Journal of Molecular Modeling 24 (2018)
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DOI: 10.1021/acs.jpcb.0c00062
Yang Z., Fromm L., Sander T., Gebhardt J., Schaub TA., Görling A., Kivala M., Maier S.:
On-Surface Assembly of Hydrogen- and Halogen-Bonded Supramolecular Graphyne-Like Networks
In: Angewandte Chemie International Edition (2020)
ISSN: 1433-7851
DOI: 10.1002/anie.201916708
Wittkämper H., Maisel S., Moritz M., Grabau M., Görling A., Steinrück HP., Papp C.:
Surface oxidation-induced restructuring of liquid Pd-Ga SCALMS model catalysts
In: Physical Chemistry Chemical Physics (2021)
ISSN: 1463-9076
DOI: 10.1039/d1cp02458b
Xiang F., Maisel S., Beniwal S., Akhmetov V., Ruppenstein C., Devarajulu M., Dörr A., Papaianina O., Görling A., Amsharov K., Maier S.:
Planar π-extended cycloparaphenylenes featuring an all-armchair edge topology
In: Nature Chemistry 1^4 (2022), p. 871-876
ISSN: 1755-4330
DOI: 10.1038/s41557-022-00968-3
Frieß M., Pluhackova K., Böckmann R.:
Structural Model of the mIgM B-Cell Receptor Transmembrane Domain From Self-Association Molecular Dynamics Simulations
In: Frontiers in Immunology 9 (2018), Article No.: 2947
ISSN: 1664-3224
DOI: 10.3389/fimmu.2018.02947
URL: https://www.frontiersin.org/articles/10.3389/fimmu.2018.02947/full
Sadeghi H., Kniesburges S., Kaltenbacher M., Schützenberger A., Döllinger M.:
Computational Models of Laryngeal Aerodynamics: Potentials and Numerical Costs
In: Journal of Voice 33 (2019), p. 385-400
ISSN: 0892-1997
DOI: 10.1016/j.jvoice.2018.01.001
Sarcletti M., Vivod D., Luchs T., Rejek T., Portilla Berlanga L., Müller L., Dietrich H., Hirsch A., Zahn D., Halik M.:
Superoleophilic Magnetic Iron Oxide Nanoparticles for Effective Hydrocarbon Removal from Water
In: Advanced Functional Materials (2019)
ISSN: 1616-301X
DOI: 10.1002/adfm.201805742
URL: https://onlinelibrary.wiley.com/doi/10.1002/adfm.201805742
Chachanidze RD., Aouane O., Harting J., Wagner C., Leonetti M.:
Margination of artificially stiffened red blood cells
In: Physical Review Fluids 9 (2024), Article No.: L091101
ISSN: 2469-990X
DOI: 10.1103/PhysRevFluids.9.L091101
Meier A., Bänsch E., Frank F.:
Schur preconditioning of the Stokes equations in channel-dominated domains
In: Computer Methods in Applied Mechanics and Engineering 398 (2022)
ISSN: 0045-7825
DOI: 10.1016/j.cma.2022.115264
Huraskin D., Horn A.:
Alkali ion influence on structure and stability of fibrillar amyloid-beta oligomers
In: Journal of Molecular Modeling 25 (2019), Article No.: 37
ISSN: 1610-2940
DOI: 10.1007/s00894-018-3920-4
Rettinger C., Rüde U.:
Dynamic Load Balancing Techniques for Particulate Flow Simulations
In: Computation 7 (2019)
ISSN: 2079-3197
DOI: 10.3390/computation7010009
URL: https://www.mdpi.com/2079-3197/7/1/9
Bauer U., Fromm L., Weiß C., Bachmann P., Späth F., Düll F., Steinhauer J., Hieringer W., Görling A., Hirsch A., Steinrück HP., Papp C.:
Controlled Catalytic Energy Release of the Norbornadiene/Quadricyclane Molecular Solar Thermal Energy Storage System on Ni(111)
In: Journal of Physical Chemistry C 123 (2019), p. 7654-7664
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.8b03746
Nusser K., Müller S., Scheit C., Oswald M., Becker S.:
Large Eddy Simulation of the Flow Around a Simplified Car Model
In: Direct and Large-Eddy Simulation X, Springer, 2017, p. 243--249 (ERCOFTAC Series, Vol.24)
ISBN: 978-3-319-63212-4
Bauer M., Eibl S., Godenschwager C., Kohl N., Kuron M., Rettinger C., Schornbaum F., Schwarzmeier C., Thönnes D., Köstler H., Rüde U.:
WALBERLA: A block-structured high-performance framework for multiphysics simulations
In: Computers & Mathematics with Applications (2020)
ISSN: 0898-1221
DOI: 10.1016/j.camwa.2020.01.007
Hilpert F., Liao PC., Franz E., Koch V., Fromm L., Topraksal E., Görling A., Smith AS., Barr M., Bachmann J., Brummel O., Libuda J.:
Mechanistic Insight into Solution-Based Atomic Layer Deposition of CuSCN Provided by In Situ and Ex Situ Methods
In: ACS Applied Materials and Interfaces (2023), p. 19536–19544
ISSN: 1944-8244
DOI: 10.1021/acsami.2c16943
Zanoni P., Steindl K., Sticht H., Oneda B., Joset P., Ivanovski I., Horn AH., Cabello EM., Laube J., Zweier M., Baumer A., Rauch A., Khan N.:
The genetic landscape and clinical implication of pediatric Moyamoya angiopathy in an international cohort
In: European Journal of Human Genetics (2023)
ISSN: 1018-4813
DOI: 10.1038/s41431-023-01320-0
Kicuntod J., Alkhashrom S., Häge S., Diewald B., Müller R., Hahn F., Lischka P., Sticht H., Eichler J., Marschall M.:
Properties of Oligomeric Interaction of the Cytomegalovirus Core Nuclear Egress Complex (NEC) and Its Sensitivity to an NEC Inhibitory Small Molecule
In: Viruses 13 (2021)
ISSN: 1999-4915
DOI: 10.3390/v13030462
Kataev E., Fromm L., Tariq Q., Wechsler D., Williams FJ., Tsud N., Franchi S., Steinrück HP., Görling A., Lytken O.:
Anchoring of phthalic acid on MgO(100)
In: Surface Science 720 (2022), Article No.: 122007
ISSN: 0039-6028
DOI: 10.1016/j.susc.2021.122007
Stanek M., Picard LP., Schmidt M., Kaindl J., Hübner H., Bouvier M., Weikert D., Gmeiner P.:
Hybridization of β-Adrenergic Agonists and Antagonists Confers G Protein Bias
In: Journal of Medicinal Chemistry 62 (2019), p. 5111-5131
ISSN: 0022-2623
DOI: 10.1021/acs.jmedchem.9b00349
Alvermann A., Basermann A., Bungartz HJ., Carbogno C., Ernst D., Fehske H., Futamura Y., Galgon M., Hager G., Huber S., Huckle T., Ida A., Imakura A., Kawai M., Köcher S., Kreutzer M., Kus P., Lang B., Lederer H., Manin V., Marek A., Nakajima K., Nemec L., Reuter K., Rippl M., Röhrig-Zöllner M., Sakurai T., Scheffler M., Scheurer C., Shahzad F., Simoes Brambila D., Thies J., Wellein G.:
Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects
In: Japan Journal of Industrial and Applied Mathematics (2019)
ISSN: 0916-7005
DOI: 10.1007/s13160-019-00360-8
Fickenscher G., Fromm L., Görling A., Libuda J.:
Atomic Layer Deposition of HfS2 on Oxide Interfaces: A Model Study on the Initial Nucleation Processes
In: Journal of Physical Chemistry C 126 (2022), p. 21596-21605
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.2c06293
Nusser K., Becker S.:
Numerical investigation of the fluid structure acoustics interaction on a simplified car model
In: Acta Acustica 5 (2021), p. 22
ISSN: 2681-4617
DOI: 10.1051/aacus/2021014
URL: https://acta-acustica.edpsciences.org/articles/aacus/abs/2021/01/aacus200068/aacus200068.html
Socher E., Conrad M., Heger L., Paulsen F., Sticht H., Zunke F., Arnold P.:
Computational decomposition reveals reshaping of the SARS‐CoV‐2–ACE2 interface among viral variants expressing the N501Y mutation
In: Journal of Cellular Biochemistry (2021)
ISSN: 0730-2312
DOI: 10.1002/jcb.30142
Collier E., Mölg T.:
BAYWRF: A high-resolution present-day climatological atmospheric dataset for Bavaria
In: Earth System Science Data 12 (2020), p. 3097-3112
ISSN: 1866-3508
DOI: 10.5194/essd-12-3097-2020
Bauer U., Fromm L., Weiß C., Späth F., Bachmann P., Düll F., Steinhauer J., Matysik S., Pominov A., Görling A., Hirsch A., Steinrück HP., Papp C.:
Surface chemistry of 2,3-dibromosubstituted norbornadiene/quadricyclane as molecular solar thermal energy storage system on Ni(111)
In: Journal of Chemical Physics 150 (2019), Article No.: 184706
ISSN: 0021-9606
DOI: 10.1063/1.5095583
Mölg T., R. Hardy D., Collier E., Kropac E., Schmid C., J. Cullen N., Kaser G., Prinz R., Winkler M.:
Mesoscale atmospheric circulation controls of local meteorological elevation gradients on Kersten Glacier near Kilimanjaro summit
In: Earth System Dynamics 11 (2020), p. 653-672
ISSN: 2190-4979
DOI: 10.5194/esd-11-653-2020
Rohracker M., Kumar P., Mergheim J.:
A comparative assessment of different adaptive spatial refinement strategies in phase-field fracture models for brittle fracture
In: Forces in Mechanics 10 (2023), p. 100157
ISSN: 2666-3597
DOI: 10.1016/j.finmec.2022.100157
URL: https://www.sciencedirect.com/science/article/pii/S2666359722000853
Xu J., Hu Y., Kaindl J., Risel P., Hübner H., Maeda S., Niu X., Li H., Gmeiner P., Jin C., Kobilka BK.:
Conformational Complexity and Dynamics in a Muscarinic Receptor Revealed by NMR Spectroscopy
In: Molecular Cell 75 (2019), p. 53-65.e7
ISSN: 1097-2765
DOI: 10.1016/j.molcel.2019.04.028

Publications using Fritz

Kropač E., Mölg T., Cullen NJ.:
From Sea to Summit: Investigating the Explicit Role of SST Increase for Regional and High-Altitude Climates in New Zealand
In: Journal of Geophysical Research: Atmospheres 130 (2025), Article No.: e2025JD043572
ISSN: 2169-897X
DOI: 10.1029/2025JD043572
URL: https://agupubs.onlinelibrary.wiley.com/doi/10.1029/2025JD043572
Trollmann M., Böckmann R.:
Decoding pH-Driven Phase Transition of Lipid Nanoparticles
In: Small (2026)
ISSN: 1613-6829
DOI: 10.1002/smll.202511381
Calderón JC., Plut E., Keller M., Cabrele C., Reiser O., Gervasio FL., Clark T.:
Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors
In: Journal of Chemical Information and Modeling 64 (2024), p. 205-218
ISSN: 1549-9596
DOI: 10.1021/acs.jcim.3c01574
Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor
In: Journal of Chemical Information and Modeling 63 (2023), p. 3105-3117
ISSN: 1549-9596
DOI: 10.1021/acs.jcim.3c00208
Wolff S., Gillen R., Maultzsch J.:
Electronic Properties and Interlayer Interactions in Antimony Oxide Homo- and Heterobilayers
In: physica status solidi (b) 260 (2023), Article No.: 2300376
ISSN: 0370-1972
DOI: 10.1002/pssb.202300376
Souliou SM., Tornatzky H., Gillen R., Kuffer S., Michail A., Parthenios J., Bosak A., Paolasini L., Maultzsch J., Papagelis K.:
Phonon dispersion in WS2
In: 2D Materials 12 (2025), Article No.: 045012
ISSN: 2053-1583
DOI: 10.1088/2053-1583/adfe7d
Pöhnl M., Kluge C., Böckmann R.:
Lipid Bicelles in the Study of Biomembrane Characteristics
In: Journal of Chemical Theory and Computation (2023)
ISSN: 1549-9618
DOI: 10.1021/acs.jctc.3c00085
Pöhnl M., Trollmann M., Böckmann R.:
Nonuniversal impact of cholesterol on membranes mobility, curvature sensing and elasticity
In: Nature Communications 14 (2023), Article No.: 8038
ISSN: 2041-1723
DOI: 10.1038/s41467-023-43892-x
Hewa Kankanamge CJK., Zhan T., Zhang Z., Klein T., Fröba AP.:
Influence of the Molecular Characteristics of the Solvent and the Solute Cation on Diffusive Mass Transport in Binary Electrolyte Mixtures by Dynamic Light Scattering and Molecular Dynamics Simulations
In: Journal of The Electrochemical Society 171 (2024), Article No.: 110533
ISSN: 0013-4651
DOI: 10.1149/1945-7111/ad92df
Hewa Kankanamge CJK., Klein T., Fröba AP.:
Diffusion Coefficients in Electrolyte Mixtures─Influence of the Solute Characteristics
In: Journal of Chemical and Engineering Data 70 (2025), p. 1300–1311
ISSN: 0021-9568
DOI: 10.1021/acs.jced.4c00671
Laukemann J., Gruber T., Hager G., Oryspayev D., Wellein G.:
CloverLeaf on Intel Multi-Core CPUs: A Case Study in Write-Allocate Evasion
38th IEEE International Parallel and Distributed Processing Symposium, IPDPS 2024 (San Francisco, CA, 2024-05-27 - 2024-05-31)
In: 2024 IEEE International Parallel and Distributed Processing Symposium (IPDPS) 2024
DOI: 10.1109/IPDPS57955.2024.00038
Krumbholz M., Dolnik A., Sträng E., Ghete T., Skambraks S., Hutter S., Simonis A., Stegelmann F., Suttorp M., Horn A., Sticht H., Haferlach T., Bullinger L., Metzler M.:
A high proportion of germline variants in pediatric chronic myeloid leukemia
In: Molecular Cancer 23 (2024), Article No.: 206
ISSN: 1476-4598
DOI: 10.1186/s12943-024-02109-5
Schmidt P., Hewa Kankanamge CJK., Klose J., Jander JH., Vergadou N., Economou I., Klein T., Fröba AP.:
Fick Diffusion Coefficients of Polystyrene Oligomers with Dissolved Blowing Agents by Dynamic Light Scattering and Molecular Dynamics Simulations
In: Macromolecules 58 (2025), p. 10238-10252
ISSN: 0024-9297
DOI: 10.1021/acs.macromol.5c01713
Yang Z., Koepf JA., Markl M., Körner C.:
Effect of scanning strategies on grain structure and texture of additively manufactured lattice struts: A numerical exploration
In: Advanced Engineering Materials (2024)
ISSN: 1438-1656
DOI: 10.1002/adem.202400661
Bosch E., Güse E., Kirchner P., Winterpacht A., Walther M., Alders M., Kerkhof J., Ekici AB., Sticht H., Sadikovic B., Reis A., Vasileiou G.:
The missing link: ARID1B non-truncating variants causing Coffin-Siris syndrome due to protein aggregation
In: Human genetics (2024)
ISSN: 0340-6717
DOI: 10.1007/s00439-024-02688-9
Gillen R., Maultzsch J.:
Family behavior and Dirac bands in armchair nanoribbons with 4-8 defect lines
In: Journal of Physics: Condensed Matter 36 (2024), Article No.: 295501
ISSN: 0953-8984
DOI: 10.1088/1361-648X/ad3b5a
Kumar P., Steinmann P., Mergheim J.:
A graded interphase enhanced phase-field approach for modeling fracture in polymer composites
In: Forces in Mechanics 9 (2022), Article No.: 100135
ISSN: 2666-3597
DOI: 10.1016/j.finmec.2022.100135
Linck-Paulus L., Horn A., Matthies AO., Fischer S., Meister G., Sticht H., Kappelmann-Fenzl M., Boßerhoff AK.:
A novel splice variant of Argonaut 2 affects microRNA target genes and cell viability of melanoma cells
In: JOURNAL DER DEUTSCHEN DERMATOLOGISCHEN GESELLSCHAFT, HOBOKEN: 2022
Feldl J., Gillen R., Maultzsch J., Papadogianni A., Kler J., Galazka Z., Bierwagen O., Ramsteiner M.:
Unravelling the oxygen influence in cubic bixbyite In2O3 on Raman active phonon modes by isotope studies
In: Journal of Materials Chemistry C (2025)
ISSN: 2050-7526
DOI: 10.1039/d5tc02566d
Ruppelt D., Trollmann M., Dema T., Wirtz SN., Flegel H., Mönnikes S., Grond S., Böckmann R., Steinem C.:
The antimicrobial fibupeptide lugdunin forms water-filled channel structures in lipid membranes
In: Nature Communications 15 (2024), Article No.: 3521
ISSN: 2041-1723
DOI: 10.1038/s41467-024-47803-6
Koller TM., Jander JH., Hewa Kankanamge CJK., Braun L., Chittem PK., Kerscher M., Rausch MH., Klein T., Wasserscheid P., Fröba AP.:
Thermophysical Properties of the Hydrogen Carrier System Based on Aqueous Solutions of Isopropanol or Acetone
In: International Journal of Thermophysics 45 (2024), Article No.: 156
ISSN: 0195-928X
DOI: 10.1007/s10765-024-03449-6
Conrad M., Horn A., Sticht H.:
Computational Analysis of Histamine Protonation Effects on H1R Binding
In: Molecules 28 (2023), Article No.: 3774
ISSN: 1420-3049
DOI: 10.3390/molecules28093774
Czwielong F., Benz J., Ocker C., Renz A., Sedlmajer M., Merkel M., Becker S.:
ON THE AEROACOUSTIC PROPERTIES OF A PRANDTL-FAN
ASME Turbo Expo 2023: Turbomachinery Technical Conference and Exposition, GT 2023 (Boston, MA, USA, 2023-06-26 - 2023-06-30)
In: Proceedings of the ASME Turbo Expo 2023
DOI: 10.1115/GT2023-103898
Benz J., Czwielong F., Renz A., Ocker C., Sedlmajer M., Merkel M., Schoder S., Becker S.:
INFLUENCE OF CHORD LENGTH AND LOAD DISTRIBUTION MODIFICATION ON THE SOUND EMISSION AND EFFICIENCY OF A BENCHMARK FAN
10th Convention of the European Acoustics Association, EAA 2023 (Torino, ITA, 2023-09-11 - 2023-09-15)
In: Proceedings of Forum Acusticum 2023
Kropac E., Mölg T., Cullen NJ.:
16-year WRF simulation for the Southern Alps of New Zealand
(2023)
DOI: 10.26050/WDCC/NZ-PROXY_16yrWRF
URL: https://www.wdc-climate.de/ui/entry?acronym=NZ-PROXY_16yrWRF
Gillen R., Maultzsch J.:
Semimetallic 2D Defective Graphene Networks with Periodic 4–8 Defect Lines
In: physica status solidi (b) (2025)
ISSN: 0370-1972
DOI: 10.1002/pssb.202500009
Kropac E., Mölg T., Cullen NJ.:
A new, high-resolution atmospheric dataset for southern New Zealand, 2005–2020
In: Geoscience Data Journal 11 (2024), p. 873-895
ISSN: 2049-6060
DOI: 10.1002/gdj3.263
URL: https://rmets.onlinelibrary.wiley.com/doi/10.1002/gdj3.263
Kropac E., Mölg T., Cullen NJ.:
A new, high-resolution climatological atmospheric dataset for southern New Zealand
EGU General Assembly 2023 (Wien, 2023-04-23 - 2023-04-28)
DOI: 10.5194/egusphere-egu23-14262
Adelhardt P., Koziol J., Langheld A., Schmidt KP.:
Monte Carlo Based Techniques for Quantum Magnets with Long-Range Interactions
In: Entropy 26 (2024), p. 401
ISSN: 1099-4300
DOI: 10.3390/e26050401
Duft A., Koziol J., Adelhardt P., Mühlhauser M., Schmidt KP.:
Order-by-disorder in the antiferromagnetic J1-J2-J3 transverse-field Ising model on the ruby lattice
In: Physical Review Research 6 (2024), Article No.: 033339
ISSN: 2643-1564
DOI: 10.1103/PhysRevResearch.6.033339
Dierke T., Wolff S., Gillen R., Eisenkolb J., Nagel T., Maier S., Kivala M., Hauke F., Hirsch A., Maultzsch J.:
Moiré Lattice of Twisted Bilayer Graphene as Template for Non-Covalent Functionalization
In: Angewandte Chemie International Edition 64 (2025), Article No.: e202414593
ISSN: 1433-7851
DOI: 10.1002/anie.202414593
Alt C., Lanser M., Plewinski J., Janki A., Klawonn A., Köstler H., Selzer M., Rüde U.:
A continuous benchmarking infrastructure for high-performance computing applications
In: International Journal of Parallel, Emergent and Distributed Systems (2024)
ISSN: 1744-5760
DOI: 10.1080/17445760.2024.2360190
Sanchouli N., Kankanamge CJ., Fröba AP., Koller TM.:
Surface tension and viscosity of carbon dioxide near the critical point using molecular dynamics simulations and surface light scattering
In: Fluid Phase Equilibria 605 (2026), Article No.: 114660
ISSN: 0378-3812
DOI: 10.1016/j.fluid.2026.114660
Chen G., Staffen N., Wu Z., Xu X., Pan J., Inoue A., Shi T., Gmeiner P., Du Y., Xu J.:
Structural and functional characterization of the endogenous agonist for orphan receptor GPR3
In: Cell Research 34 (2024), p. 262-265
ISSN: 1001-0602
DOI: 10.1038/s41422-023-00919-8
Weber F., Ries M., Bauer C., Wick C., Pfaller S.:
On equilibrating non-periodic molecular dynamics samples for coupled particle-continuum simulations of amorphous polymers
In: Forces in Mechanics 10 (2023), Article No.: 100159
ISSN: 2666-3597
DOI: 10.1016/j.finmec.2022.100159
URL: https://nbn-resolving.org/urn:nbn:de:bvb:29-opus4-200639
Deubler M., Weißenborn L., Leukel S., Horn A., Eichler J., Sticht H.:
Computational Characterization of the Binding Properties of the HIV1-Neutralizing Antibody PG16 and Design of PG16-Derived CDRH3 Peptides
In: Biology 12 (2023), Article No.: 824
ISSN: 2079-7737
DOI: 10.3390/biology12060824
Landshuter N., Aemisegger F., Mölg T.:
Stable Water Isotope Signals and Their Relation to Stratiform and Convective Precipitation in the Tropical Andes
In: Journal of Geophysical Research: Atmospheres 129 (2024), Article No.: e2023JD040630
ISSN: 2169-897X
DOI: 10.1029/2023JD040630
Thönnes D., Rüde U.:
Performance Modeling of Generated Stencil Kernels within the HyTeG Framework
Platform for Advanced Scientific Computing (PASC) Conference (Basel, Switzerland, 2022-06-27 - 2022-06-29)
Boonsawat P., Asadollahi R., Niedrist D., Steindl K., Begemann A., Joset P., Bhoj EJ., Li D., Zackai E., Vetro A., Barba C., Guerrini R., Whalen S., Keren B., Khan A., Jing D., Palomares Bralo M., Rikeros Orozco E., Hao Q., Schlott Kristiansen B., Zheng B., Donnelly D., Clowes V., Zweier M., Papik M., Siegel G., Sabatino V., Mocera M., Horn AH., Sticht H., Rauch A.:
Deleterious ZNRF3 germline variants cause neurodevelopmental disorders with mirror brain phenotypes via domain-specific effects on Wnt/β-catenin signaling
In: American Journal of Human Genetics (2024)
ISSN: 0002-9297
DOI: 10.1016/j.ajhg.2024.07.016
Mergheim J., Breuning C., Burkhardt C., Hübner D., Köpf J., Herrnböck L., Yang Z., Körner C., Markl M., Steinmann P., Stingl M.:
Additive manufacturing of cellular structures: Multiscale simulation and optimization
In: Journal of Manufacturing Processes 95 (2023), p. 275-290
ISSN: 1526-6125
DOI: 10.1016/j.jmapro.2023.03.071
Oikonomou E., Juli Y., Kolan RR., Kern L., Gruber T., Alzheimer C., Krauß P., Maier A., Huth T.:
A deep learning approach to real-time Markov modeling of ion channel gating.
In: Communications Chemistry (2024), Article No.: 280
ISSN: 2399-3669
DOI: 10.1038/s42004-024-01369-y
Wittkämper H., Hock R., Weißer M., Dallmann J., Vogel C., Raman N., Tacardi N., Haumann M., Wasserscheid P., Hsieh TE., Maisel S., Moritz M., Wichmann C., Frisch J., Gorgoi M., Wilks RG., Bär M., Wu M., Spiecker E., Görling A., Unruh T., Steinrück HP., Papp C.:
Isolated Rh atoms in dehydrogenation catalysis
In: Scientific Reports 13 (2023), p. 4458-
ISSN: 2045-2322
DOI: 10.1038/s41598-023-31157-y
Kropac E., Mölg T., Teichert S.:
The potential of coralline algae as SST proxy and for climate model evaluation: A New Zealand case study
EGU General Assembly 2022 (Wien, 2022-05-23 - 2022-05-27)
DOI: 10.5194/egusphere-egu22-6353
URL: https://meetingorganizer.copernicus.org/EGU22/EGU22-6353.html
Linck-Paulus L., Meißgeier T., Pieger K., Horn A., Matthies AO., Fischer S., Meister G., Sticht H., Kappelmann-Fenzl M., Boßerhoff AK.:
A previously unknown Argonaute 2 variant positively modulates the viability of melanoma cells
In: Cellular and Molecular Life Sciences 79 (2022), Article No.: 475
ISSN: 1420-682X
DOI: 10.1007/s00018-022-04496-8
Kluge C., Pöhnl M., Böckmann R.:
Spontaneous local membrane curvature induced by transmembrane proteins
In: Biophysical Journal 121 (2022), p. 671-683
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2022.01.029
Damp P., Sun Y., Hewa Kankanamge CJK., Jander JH., Rausch MH., Klein T., Koller TM., Fröba AP.:
Thermophysical Properties of n-Hexane under the Influence of Dissolved Hydrogen by Experiments and Equilibrium Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 70 (2025), p. 4548-4568
ISSN: 0021-9568
DOI: 10.1021/acs.jced.5c00475
Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
Activation/Deactivation Free-Energy Profiles for the β2-Adrenergic Receptor: Ligand Modes of Action
In: Journal of Chemical Information and Modeling 63 (2023), p. 6332-6343
ISSN: 1549-9596
DOI: 10.1021/acs.jcim.3c00805
Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
Determinants of Neutral Antagonism and Inverse Agonism in the β2-Adrenergic Receptor
In: Journal of Chemical Information and Modeling 64 (2024), p. 2045-2057
ISSN: 1549-9596
DOI: 10.1021/acs.jcim.3c01763
Seeling M., Pöhnl M., Kara S., Horstmann N., Riemer C., Wöhner M., Liang C., Brückner C., Eiring P., Werner A., Biburger M., Altmann L., Schneider M., Amon L., Lehmann C., Lee S., Kunz M., Dudziak D., Schett G., Bäuerle T., Lux A., Tuckermann J., Vögtle T., Nieswandt B., Sauer M., Böckmann R., Nimmerjahn F.:
Immunoglobulin G-dependent inhibition of inflammatory bone remodeling requires pattern recognition receptor Dectin-1
In: Immunity 56 (2023), p. 1046-1063.e7
ISSN: 1074-7613
DOI: 10.1016/j.immuni.2023.02.019
Krämer C., Koziol J., Langheld A., Hörmann M., Schmidt KP.:
Quantum-critical properties of the one- and two-dimensional random transverse-field Ising model from large-scale quantum Monte Carlo simulations
In: SciPost Physics 17 (2024), Article No.: 061
ISSN: 2542-4653
DOI: 10.21468/SciPostPhys.17.2.061
Denysenko O., Horn A., Sticht H.:
Comparative Molecular Dynamics Study of 19 Bovine Antibodies with Ultralong CDR H3
In: Antibodies 14 (2025), Article No.: 70
ISSN: 2073-4468
DOI: 10.3390/antib14030070
Adelhardt P., Duft A., Schmidt KP.:
Quantum-critical and dynamical properties of the XXZ bilayer with long-range interactions
In: Physical Review B 111 (2025), Article No.: 024409
ISSN: 0163-1829
DOI: 10.1103/PhysRevB.111.024409
Hewa Kankanamge CJK., Zosel AI., Klein T., Fröba AP.:
Prediction of Fick Diffusion Coefficients in Binary Electrolyte Mixtures
In: International Journal of Thermophysics 46 (2025), Article No.: 142
ISSN: 0195-928X
DOI: 10.1007/s10765-025-03610-9
Trollmann M., Böckmann R.:
Characterization of domain formation in complex membranes
In: Biophysical Approaches for the Study of Membrane Structure, Academic Press Inc., 2024, p. 1-46 (Methods in Enzymology, Vol.701)
DOI: 10.1016/bs.mie.2024.03.006
Zanoni P., Steindl K., Sticht H., Oneda B., Joset P., Ivanovski I., Horn AH., Cabello EM., Laube J., Zweier M., Baumer A., Rauch A., Khan N.:
The genetic landscape and clinical implication of pediatric Moyamoya angiopathy in an international cohort
In: European Journal of Human Genetics (2023)
ISSN: 1018-4813
DOI: 10.1038/s41431-023-01320-0

Publications using Alex

Calderón JC., Plut E., Keller M., Cabrele C., Reiser O., Gervasio FL., Clark T.:
Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors
In: Journal of Chemical Information and Modeling 64 (2024), p. 205-218
ISSN: 1549-9596
DOI: 10.1021/acs.jcim.3c01574
Volkenandt S., Beierlein F., Imhof P.:
Interaction of thymine dna glycosylase with oxidised 5-methyl-cytosines in their amino-and imino-forms
In: Molecules 26 (2021), Article No.: 5728
ISSN: 1420-3049
DOI: 10.3390/molecules26195728
Henningson JO., Veltrup R., Semmler M., Döllinger M., Stamminger M.:
Fireflies: Photorealistic Simulation and Optimization of Structured Light Endoscopy
9th International Workshop on Simulation and Synthesis in Medical Imaging, SASHIMI 2024, held in conjunction with the 27th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2024 (Marrakesh, MAR, 2024-10-10 - 2024-10-10)
In: Virginia Fernandez, Jelmer M. Wolterink, David Wiesner, Samuel Remedios, Lianrui Zuo, Adrià Casamitjana (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2024
DOI: 10.1007/978-3-031-73281-2_10
Folle L., Tkotz K., Gadjimuradov F., Kapsner L., Fabian M., Bickelhaupt S., Simon D., Kleyer A., Krönke G., Zaiß M., Nagel AM., Maier A.:
Towards Super-resolution CEST MRI for Visualization of Small Structures
In: Klaus Maier-Hein, Thomas M. Deserno, Heinz Handels, Andreas Maier, Christoph Palm, ThomasTolxdorff (ed.): Bildverarbeitung für die Medizin 2022, Wiesbaden: Springer Vieweg, 2022, p. 210-215 (Proceedings, German Workshop on Medical Image Computing, Heidelberg, June 26–28, 2022)
ISBN: 978-3-658-36932-3
DOI: 10.1007/978-3-658-36932-3_45
Schmidt P., Hewa Kankanamge CJK., Klose J., Jander JH., Vergadou N., Economou I., Klein T., Fröba AP.:
Fick Diffusion Coefficients of Polystyrene Oligomers with Dissolved Blowing Agents by Dynamic Light Scattering and Molecular Dynamics Simulations
In: Macromolecules 58 (2025), p. 10238-10252
ISSN: 0024-9297
DOI: 10.1021/acs.macromol.5c01713
Mayr M., Krenz J., Neumeier K., Bub A., Bürcky S., Brolich N., Herbers K., Habermann M., Fleischmann P., Maier A., Christlein V.:
Nuremberg Letterbooks: A Multi-Transcriptional Dataset of Early 15th Century Manuscripts for Document Analysis.
In: Scientific Data 12 (2025), Article No.: 811
ISSN: 2052-4463
Open Access: https://www.nature.com/articles/s41597-025-05144-z
URL: https://www.nature.com/articles/s41597-025-05144-z
Dombrowski MN., Reynaud H., Müller J., Baugh M., Kainz B.:
Trade-Offs in Fine-Tuned Diffusion Models between Accuracy and Interpretability
38th AAAI Conference on Artificial Intelligence, AAAI 2024 (Vancouver, 2024-02-20 - 2024-02-27)
In: Association for the Advancement of Artificial Intelligence (ed.): AAAI-24 Special Track Safe, Robust and Responsible AI Track, Washington, DC: 2024
DOI: 10.1609/aaai.v38i19.30095
Franke L., Rückert D., Fink L., Stamminger M.:
TRIPS: Trilinear Point Splatting for Real-Time Radiance Field Rendering
In: Computer Graphics Forum (2024)
ISSN: 0167-7055
DOI: 10.1111/cgf.15012
Trollmann M., Böckmann R.:
Characterization of a lipid nanoparticle for mRNA delivery using molecular dynamics
In: EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, NEW YORK: 2021
Wu F., Zhang J., Liu D., Maier A., Christlein V.:
Deep learning-based debris flow hazard detection and recognition system: a case study
In: Scientific Reports 15 (2025), Article No.: 6789
ISSN: 2045-2322
DOI: 10.1038/s41598-025-86471-4
URL: https://www.nature.com/articles/s41598-025-86471-4
Angersbach R., Kuckuk S., Köstler H.:
Generating Coupling Interfaces for Multiphysics Simulations with ExaStencils and waLBerla
International Parallel and Distributed Processing Symposium (IPDPS) (St. Petersburg, Florida USA, 2023-05-15 - 2023-05-19)
In: 2023 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), Los Alamitos, CA, USA: 2023
DOI: 10.1109/IPDPSW59300.2023.00112
URL: https://ieeexplore.ieee.org/document/10196550
Trollmann M., Böckmann R.:
mRNA lipid nanoparticle phase transition
In: Biophysical Journal (2022)
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2022.08.037
Linck-Paulus L., Horn A., Matthies AO., Fischer S., Meister G., Sticht H., Kappelmann-Fenzl M., Boßerhoff AK.:
A novel splice variant of Argonaut 2 affects microRNA target genes and cell viability of melanoma cells
In: JOURNAL DER DEUTSCHEN DERMATOLOGISCHEN GESELLSCHAFT, HOBOKEN: 2022
Ruppelt D., Trollmann M., Dema T., Wirtz SN., Flegel H., Mönnikes S., Grond S., Böckmann R., Steinem C.:
The antimicrobial fibupeptide lugdunin forms water-filled channel structures in lipid membranes
In: Nature Communications 15 (2024), Article No.: 3521
ISSN: 2041-1723
DOI: 10.1038/s41467-024-47803-6
Handke M., Beierlein F., Imhof P., Schiedel M., Hammann S.:
New fluorogenic triacylglycerols as sensors for dynamic measurement of lipid oxidation
In: Analytical and Bioanalytical Chemistry 417 (2025), p. 287-296
ISSN: 1618-2642
DOI: 10.1007/s00216-024-05642-w
Koller TM., Jander JH., Hewa Kankanamge CJK., Braun L., Chittem PK., Kerscher M., Rausch MH., Klein T., Wasserscheid P., Fröba AP.:
Thermophysical Properties of the Hydrogen Carrier System Based on Aqueous Solutions of Isopropanol or Acetone
In: International Journal of Thermophysics 45 (2024), Article No.: 156
ISSN: 0195-928X
DOI: 10.1007/s10765-024-03449-6
Conrad M., Horn A., Sticht H.:
Computational Analysis of Histamine Protonation Effects on H1R Binding
In: Molecules 28 (2023), Article No.: 3774
ISSN: 1420-3049
DOI: 10.3390/molecules28093774
Dombrowski MN., Zhang W., Cechnicka S., Reynaud H., Kainz B.:
Image Generation Diversity Issues and How to Tame Them
(2025), p. 3029-3039
DOI: 10.48550/arXiv.2411.16171
URL: https://openaccess.thecvf.com/content/CVPR2025/html/Dombrowski_Image_Generation_Diversity_Issues_and_How_to_Tame_Them_CVPR_2025_paper.html
Gösche E., Eghbali R., Knoll F., Rauschecker AM.:
Domain Influence in MRI Medical Image Segmentation: Spatial Versus k-Space Inputs
15th International Workshop on Machine Learning in Medical Imaging, Held in Conjunction with MICCAI 2024 (Marrakesh, 2024-10-06 - 2024-10-06)
In: Xuanang Xu, Zhiming Cui, Islem Rekik, Xi Ouyang, Kaicong Sun (ed.): Machine Learning in Medical Imaging, Cham: 2024
DOI: 10.1007/978-3-031-73284-3_31
URL: https://link.springer.com/chapter/10.1007/978-3-031-73284-3_31
Wirth V., Bräunig J., Khouri D., Gutsche F., Vossiek M., Weyrich T., Stamminger M.:
Automatic Spatial Calibration of Near-Field MIMO Radar With Respect to Optical Depth Sensors
IEEE/RSJ International Conference on Intelligent Robots and Systems (IROS) (Abu Dhabi, 2024-10-14 - 2024-10-18)
DOI: 10.1109/IROS58592.2024.10801705
Heger L., Ankermann P., Socher E.:
Molecular Characterization of the GALC Mutation Thr112Ala Causing Krabbe Disease
In: International Journal of Molecular Sciences 26 (2025), p. 8647
ISSN: 1422-0067
DOI: 10.3390/ijms26178647
Sanchouli N., Kankanamge CJ., Fröba AP., Koller TM.:
Surface tension and viscosity of carbon dioxide near the critical point using molecular dynamics simulations and surface light scattering
In: Fluid Phase Equilibria 605 (2026), Article No.: 114660
ISSN: 0378-3812
DOI: 10.1016/j.fluid.2026.114660
Amador Balderas JA., Beierlein F., Horn A., Volkenandt S., Völcker L., Mokhtari N., Epee Ndongue JC., Imhof P.:
Mode of Metal Ligation Governs Inhibition of Carboxypeptidase A
In: International Journal of Molecular Sciences 25 (2024), p. 13725
ISSN: 1422-0067
DOI: 10.3390/ijms252413725
Dreier MN., Koch M., Gourmelon N., Blindow N., Steinhage D., Wu F., Seehaus T., Braun M., Maier A., Christlein V.:
IceAnatomy: a benchmark dataset and methodology for automatic ice boundary extraction from radio-echo sounding data
In: Cryosphere 19 (2025), p. 5337-5359
ISSN: 1994-0416
DOI: 10.5194/tc-19-5337-2025
URL: https://tc.copernicus.org/articles/19/5337/2025/
Bachhuber S., Weber D., Weygers I., Seel T.:
RNN-based Observability Analysis for Magnetometer-Free Sparse Inertial Motion Tracking
25th International Conference on Information Fusion, FUSION 2022 (Linkoping, 2022-07-04 - 2022-07-07)
In: 2022 25th International Conference on Information Fusion, FUSION 2022 2022
DOI: 10.23919/FUSION49751.2022.9841375
Zhai Z., Hantal G., Cherian A., Bergen A., Chu J., Wick C., Meyer K., Smith AS., Koller TM.:
Influence of molecular hydrogen on bulk and interfacial properties of three imidazolium-based ionic liquids by experiments and molecular dynamics simulations
In: International Journal of Hydrogen Energy 72 (2024), p. 1091-1104
ISSN: 0360-3199
DOI: 10.1016/j.ijhydene.2024.05.249
Deubler M., Weißenborn L., Leukel S., Horn A., Eichler J., Sticht H.:
Computational Characterization of the Binding Properties of the HIV1-Neutralizing Antibody PG16 and Design of PG16-Derived CDRH3 Peptides
In: Biology 12 (2023), Article No.: 824
ISSN: 2079-7737
DOI: 10.3390/biology12060824
Franke L., Rückert D., Fink L., Innmann M., Stamminger M.:
VET: Visual Error Tomography for Point Cloud Completion and High-Quality Neural Rendering
Siggraph Asia 2023 (Sydney, 2023-12-12 - 2023-12-15)
In: ACM SIGGRAPH Asia 2023 Conference Proceedings 2023
DOI: 10.1145/3610548.3618212
URL: https://www.lgdv.tf.fau.de/?p=2638
Mattick A., Mayr M., Seuret M., Kordon F., Wu F., Christlein V.:
Evaluating learned feature aggregators for writer retrieval
In: International Journal on Document Analysis and Recognition 27 (2024), p. 265-274
ISSN: 1433-2833
DOI: 10.1007/s10032-024-00482-x
URL: https://link.springer.com/article/10.1007/s10032-024-00482-x
Hahlbohm F., Franke L., Kappel M., Castillo S., Eisemann M., Stamminger M., Magnor M.:
INPC: Implicit Neural Point Clouds for Radiance Field Rendering
International Conference on 3D Vision 2025 (Singapore, 2025-03-25 - 2025-03-28)
In: Proceedings of the International Conference on 3D Vision 2025 2025
Open Access: https://openreview.net/forum?id=lzhYJt55Yf
Dogaru A., Özer M., Egger B.:
Generalizable 3D Scene Reconstruction via Divide and Conquer from a Single View
International Conference on 3D Vision 2025 (Singapore, 2025-03-25 - 2025-01-28)
Open Access: https://arxiv.org/pdf/2404.03421
Linck-Paulus L., Meißgeier T., Pieger K., Horn A., Matthies AO., Fischer S., Meister G., Sticht H., Kappelmann-Fenzl M., Boßerhoff AK.:
A previously unknown Argonaute 2 variant positively modulates the viability of melanoma cells
In: Cellular and Molecular Life Sciences 79 (2022), Article No.: 475
ISSN: 1420-682X
DOI: 10.1007/s00018-022-04496-8
Baugh M., Tan J., Müller JP., Dombrowski M., Batten J., Kainz B.:
Many Tasks Make Light Work: Learning to Localise Medical Anomalies from Multiple Synthetic Tasks
26th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2023 (Vancouver, BC, CAN, 2023-10-08 - 2023-10-12)
In: Hayit Greenspan, Hayit Greenspan, Anant Madabhushi, Parvin Mousavi, Septimiu Salcudean, James Duncan, Tanveer Syeda-Mahmood, Russell Taylor (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2023
DOI: 10.1007/978-3-031-43907-0_16
Mayr M., Dreier MN., Kordon F., Seuret M., Zöllner J., Wu F., Maier A., Christlein V.:
Zero-Shot Paragraph-level Handwriting Imitation with Latent Diffusion Models
In: International Journal of Computer Vision 133 (2025), p. 7054-7075
ISSN: 0920-5691
DOI: 10.1007/s11263-025-02525-0
URL: https://link.springer.com/article/10.1007/s11263-025-02525-0
Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
Determinants of Neutral Antagonism and Inverse Agonism in the β2-Adrenergic Receptor
In: Journal of Chemical Information and Modeling 64 (2024), p. 2045-2057
ISSN: 1549-9596
DOI: 10.1021/acs.jcim.3c01763
Beierlein F., Horn A., Sticht H., Mokhir A., Imhof P.:
In Silico Study of Camptothecin-Based Pro-Drugs Binding to Human Carboxylesterase 2
In: Biomolecules 14 (2024), Article No.: 153
ISSN: 2218-273X
DOI: 10.3390/biom14020153
Denysenko O., Horn A., Sticht H.:
Comparative Molecular Dynamics Study of 19 Bovine Antibodies with Ultralong CDR H3
In: Antibodies 14 (2025), Article No.: 70
ISSN: 2073-4468
DOI: 10.3390/antib14030070
Owen H., Ernst D., Gruber T., Lemkuhl O., Houzeaux G., Gasparino L., Wellein G.:
Alya towards Exascale: Optimal OpenACC Performance of the Navier-Stokes Finite Element Assembly on GPUs
38th IEEE International Parallel and Distributed Processing Symposium, IPDPS 2024 (San Francisco, 2024-05-27 - 2024-05-31)
In: 2024 IEEE International Parallel and Distributed Processing Symposium (IPDPS) 2024
DOI: 10.1109/IPDPS57955.2024.00043
Wu F., Seuret M., Mayr M., Kordon F., Zöllner J., Wind S., Maier A., Christlein V.:
Lightweight cross-attention-based HookNet for historical handwritten document layout analysis
In: International Journal on Document Analysis and Recognition 28 (2025), p. 409-427
ISSN: 1433-2833
DOI: 10.1007/s10032-025-00519-9
URL: https://link.springer.com/article/10.1007/s10032-025-00519-9
Fink L., Rückert D., Franke L., Keinert J., Stamminger M.:
LiveNVS: Neural View Synthesis on Live RGB-D Streams
Siggraph Asia 2023 (Sydney, 2023-12-12 - 2023-12-15)
In: ACM (ed.): Siggraph Asia 2023 Proceedings 2023
DOI: 10.1145/3610548.3618213
URL: https://arxiv.org/abs/2311.16668
Müller J., Baugh M., Tan J., Dombrowski MN., Kainz B.:
Confidence-Aware and Self-supervised Image Anomaly Localisation
Uncertainty for Safe Utilization of Machine Learning in Medical Imaging (Vancouver, 2023-10-12 - 2023-10-12)
In: Carole H. Sudre, Christian F. Baumgartner, Adrian Dalca, Raghav Mehta, Chen Qin, William M. Wells (ed.): Uncertainty for Safe Utilization of Machine Learning in Medical Imaging 2023
DOI: 10.1007/978-3-031-44336-7_18
Beudert M., Hahn L., Horn A., Hauptstein N., Sticht H., Meinel L., Luxenhofer R., Gutmann M., Luehmann T.:
Merging bioresponsive release of insulin-like growth factor I with 3D printable thermogelling hydrogels
In: Journal of Controlled Release 347 (2022), p. 115-126
ISSN: 0168-3659
DOI: 10.1016/j.jconrel.2022.04.028
Vlontzos A., Müller C., Kainz B.:
Causal reasoning in medical imaging
In: Trustworthy AI in Medical Imaging, Academic Press, 2025, p. 367-381 (The MICCAI Society)
ISBN: 9780443237614
DOI: 10.1016/B978-0-44-323761-4.00029-8
Wu F., Gourmelon N., Seehaus T., Zhang J., Braun M., Maier A., Christlein V.:
Contextual HookFormer for Glacier Calving Front Segmentation
In: IEEE Transactions on Geoscience and Remote Sensing 62 (2024), p. 1-15
ISSN: 0196-2892
DOI: 10.1109/TGRS.2024.3368215
URL: https://ieeexplore.ieee.org/document/10440599
Beierlein F., Volkenandt S., Imhof P.:
Oxidation Enhances Binding of Extrahelical 5-Methyl-Cytosines by Thymine DNA Glycosylase
In: Journal of Physical Chemistry B 126 (2022), p. 1188-1201
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.1c09896
Cechnicka S., Ball J., Reynaud H., Arthurs C., Roufosse C., Kainz B.:
Realistic Data Enrichment for Robust Image Segmentation in Histopathology
5th MICCAI Workshop on Domain Adaptation and Representation Transfer, DART 2023 (Vancouver, BC, CAN, 2023-10-12 - 2023-10-12)
In: Lisa Koch, M. Jorge Cardoso, Enzo Ferrante, Konstantinos Kamnitsas, Mobarakol Islam, Meirui Jiang, Nicola Rieke, Sotirios A. Tsaftaris, Dong Yang (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2024
DOI: 10.1007/978-3-031-45857-6_7
Trollmann M., Böckmann R.:
Decoding pH-Driven Phase Transition of Lipid Nanoparticles
In: Small (2026)
ISSN: 1613-6829
DOI: 10.1002/smll.202511381
Paraperas PF., Alexandros L., Stylianos M., Deng J., Kainz B., Stefanos Z.:
Arc2face: A foundation model for id-consistent human faces
In: Proceedings of the European Conference on Computer Vision (ECCV) 2024
DOI: 10.1007/978-3-031-72913-3_14
URL: https://link.springer.com/content/pdf/10.1007/978-3-031-72913-3_14.pdf
Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor
In: Journal of Chemical Information and Modeling 63 (2023), p. 3105-3117
ISSN: 1549-9596
DOI: 10.1021/acs.jcim.3c00208
Müller J., Kainz B.:
Resource-Efficient Medical Image Analysis with Self-adapting Forward-Forward Networks
15th International Workshop on Machine Learning in Medical Imaging, MLMI 2024 was held in conjunction with the 27th International Conference on Medical Image Computing and Computer Assisted Intervention, MICCAI 2024 (Marrakesh, 2024-10-06 - 2024-10-06)
In: Xuanang Xu, Zhiming Cui, Kaicong Sun, Islem Rekik, Xi Ouyang (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2025
DOI: 10.1007/978-3-031-73290-4_18
Thies M., Wagner F., Maul N., Folle L., Meier M., Rohleder M., Schneider LS., Pfaff L., Gu M., Utz J., Denzinger F., Manhart M., Maier A.:
Gradient-based geometry learning for fan-beam CT reconstruction
In: Physics in Medicine and Biology 68 (2023), Article No.: 205004
ISSN: 0031-9155
DOI: 10.1088/1361-6560/acf90e
URL: https://iopscience.iop.org/article/10.1088/1361-6560/acf90e
Pöhnl M., Kluge C., Böckmann R.:
Lipid Bicelles in the Study of Biomembrane Characteristics
In: Journal of Chemical Theory and Computation (2023)
ISSN: 1549-9618
DOI: 10.1021/acs.jctc.3c00085
Pöhnl M., Trollmann M., Böckmann R.:
Nonuniversal impact of cholesterol on membranes mobility, curvature sensing and elasticity
In: Nature Communications 14 (2023), Article No.: 8038
ISSN: 2041-1723
DOI: 10.1038/s41467-023-43892-x
Hewa Kankanamge CJK., Zhan T., Zhang Z., Klein T., Fröba AP.:
Influence of the Molecular Characteristics of the Solvent and the Solute Cation on Diffusive Mass Transport in Binary Electrolyte Mixtures by Dynamic Light Scattering and Molecular Dynamics Simulations
In: Journal of The Electrochemical Society 171 (2024), Article No.: 110533
ISSN: 0013-4651
DOI: 10.1149/1945-7111/ad92df
Hewa Kankanamge CJK., Klein T., Fröba AP.:
Diffusion Coefficients in Electrolyte Mixtures─Influence of the Solute Characteristics
In: Journal of Chemical and Engineering Data 70 (2025), p. 1300–1311
ISSN: 0021-9568
DOI: 10.1021/acs.jced.4c00671
Wirth V., Liphardt AM., Coppers B., Bräunig J., Heinrich S., Leyendecker S., Kleyer A., Schett G., Vossiek M., Egger B., Stamminger M.:
ShaRPy: Shape Reconstruction and Hand Pose Estimation from RGB-D with Uncertainty
International Conference on Computer Vision (ICCV) Workshops (Paris, 2023-10-02 - 2023-10-06)
In: Proceedings of the IEEE/CVF International Conference on Computer Vision (ICCV) Workshops 2023
Open Access: https://openaccess.thecvf.com/content/ICCV2023W/CVAMD/html/Wirth_ShaRPy_Shape_Reconstruction_and_Hand_Pose_Estimation_from_RGB-D_with_ICCVW_2023_paper.html
Hofmann N., Wirth V., Bräunig J., Ullmann I., Vossiek M., Weyrich T., Stamminger M.:
Inverse Rendering of Near-Field mmWave MIMO Radar for Material Reconstruction
In: IEEE Journal of Microwaves (2025), p. 1-17
ISSN: 2692-8388
DOI: 10.1109/JMW.2025.3535077
URL: https://github.com/nihofm/inverse-radar-rendering
Klemt I., Reshetnikov V., Dutta S., Bila G., Bilyy R., Cuartero IC., Hidalgo A., Wünsche A., Böhm M., Wondrak M., Kunz-Schughart LA., Tietze R., Beierlein F., Imhof P., Gensberger-Reigl S., Pischetsrieder M., Körber M., Jost T., Mokhir A.:
A concept of dual-responsive prodrugs based on oligomerization-controlled reactivity of ester groups: an improvement of cancer cells versus neutrophils selectivity of camptothecin
In: RSC Medicinal Chemistry (2024)
ISSN: 2632-8682
DOI: 10.1039/d3md00609c
Böhm J., Breuning C., Markl M., Körner C.:
A new approach of preheating and powder sintering in electron beam powder bed fusion
In: International Journal of Advanced Manufacturing Technology (2024)
ISSN: 0268-3768
DOI: 10.1007/s00170-024-13966-1
Zhang W., Basaran B., Meng Q., Baugh M., Stelter J., Lung P., Patel U., Bai W., Karampinos D., Kainz B.:
MoCoSR: Respiratory Motion Correction and Super-Resolution for 3D Abdominal MRI
26th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2023 (Vancouver, BC, 2023-10-08 - 2023-10-12)
In: Hayit Greenspan, Anant Madabhushi, Parvin Mousavi, Septimiu Salcudean, James Duncan, Tanveer Syeda-Mahmood, Russell Taylor (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2023
DOI: 10.1007/978-3-031-43999-5_12
Wagner F., Thies M., Maul N., Pfaff L., Aust O., Pechmann S., Syben C., Maier A.:
Geometric Constraints Enable Self-Supervised Sinogram Inpainting in Sparse-View Tomography
17th International Meeting on Fully Three-Dimensional Image Reconstruction in Radiology and Nuclear Medicine (Fully3D) (Stony Brook University, NY, USA, 2023-07-16 - 2023-07-21)
DOI: 10.48550/arXiv.2302.06436
URL: https://arxiv.org/pdf/2302.06436.pdf
Franke L., Fink L., Stamminger M.:
VR-Splatting: Foveated Radiance Field Rendering via 3D Gaussian Splatting and Neural Points
In: Proceedings of the ACM on Computer Graphics and Interactive Techniques 8 (2025), Article No.: 18
ISSN: 2577-6193
DOI: 10.1145/3728302
URL: https://linus-franke.com/vr_splatting/
Wu F., Dreier MN., Gourmelon N., Wind S., Zhang J., Seehaus T., Braun M., Maier A., Christlein V.:
AMD-HookNet++: Evolution of AMD-HookNet with Hybrid CNN-Transformer Feature Enhancement for Glacier Calving Front Segmentation
In: IEEE Transactions on Geoscience and Remote Sensing 64 (2025), p. 1-22
ISSN: 0196-2892
DOI: 10.1109/TGRS.2025.3642764
URL: https://ieeexplore.ieee.org/document/11296938
Henningson JO., Semmler M., Döllinger M., Stamminger M.:
Joint Segmentation and Sub-pixel Localization in Structured Light Laryngoscopy
26th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2023 (Vancouver, BC, 2023-10-08 - 2023-10-12)
In: Hayit Greenspan, Hayit Greenspan, Anant Madabhushi, Parvin Mousavi, Septimiu Salcudean, James Duncan, Tanveer Syeda-Mahmood, Russell Taylor (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2023
DOI: 10.1007/978-3-031-43987-2_4
Jehn C., Müller J., Kainz B.:
Learnable Slice-to-volume Reconstruction for Motion Compensation in Fetal Magnetic Resonance Imaging
Bildverarbeitung für die Medizin Workshop, BVM 2023 (Braunschweig, 2023-07-02 - 2023-07-04)
In: Thomas M. Deserno, Heinz Handels, Andreas Maier, Klaus Maier-Hein, Christoph Palm, Thomas Tolxdorff (ed.): Informatik aktuell 2023
DOI: 10.1007/978-3-658-41657-7_10
Chen G., Staffen N., Wu Z., Xu X., Pan J., Inoue A., Shi T., Gmeiner P., Du Y., Xu J.:
Structural and functional characterization of the endogenous agonist for orphan receptor GPR3
In: Cell Research 34 (2024), p. 262-265
ISSN: 1001-0602
DOI: 10.1038/s41422-023-00919-8
Raucheisen M., Attia D., Körber M., Crevillén AA., Hidalgo A., Beierlein F., Imhof P., Mokhir A.:
Mitochondria-Catalyzed Activation of Anticancer Prodrugs
In: ChemCatChem (2025)
ISSN: 1867-3880
DOI: 10.1002/cctc.202500054
Monroy LCR., Mayr M., Mill L., Köstler H., Maier A.:
Patch-Level Brain Tumor Sub-region Classification Using Foundation Models Under Long-Tailed Data Distributions
Brain TumorS Lighthouse Cluster of Challenges, and the Automated Identification of Moderate-Severe Traumatic Brain Injury Lesions Challenge, BraTS 2025 and AIMS-TBI 2025, held in Conjunction International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2025 (Daejeon, KOR, 2025-09-23 - 2025-09-27)
In: Spyridon Bakas, Emily Dennis, Mehdi Astaraki, Ujjwal Baid, Gian Marco Conte, Martha Foltyn-Dumitru, Zhifan Jiang, Marius George Linguraru, Dominic Labella, Marie-Christin Metz, Udunna Anazodo, Maria Correia de Verdier, Florian Kofler, Hongwei Bran Li, Nazanin Maleki (ed.): Lecture Notes in Computer Science 2026
DOI: 10.1007/978-3-032-16370-7_19
Kainz B.:
Keynote: Beyond Supervised Learning Exploring Novel Machine Learning Approaches for Robust Medical Image Analysis
Bildverarbeitung für die Medizin Workshop, BVM 2023 (Braunschweig, 2023-07-02 - 2023-07-04)
In: Thomas M. Deserno, Heinz Handels, Andreas Maier, Klaus Maier-Hein, Christoph Palm, Thomas Tolxdorff (ed.): Informatik aktuell 2023
DOI: 10.1007/978-3-658-41657-7_1
Dreier MN., Gourmelon N., Pyles DR., Wu F., Braun M., Seehaus T., Maier A., Christlein V.:
Multi-temporal calving front segmentation
In: Isprs Journal of Photogrammetry and Remote Sensing 239 (2026), p. 276-290
ISSN: 0924-2716
DOI: 10.1016/j.isprsjprs.2026.05.053
URL: https://www.sciencedirect.com/science/article/pii/S092427162600300X?via=ihub
Nishimura T., Dogaru A., Egger B.:
ArCSEM: Artistic Colorization of SEM Images via Gaussian Splatting
AI for Visual Arts Workshop and Challenges (AI4VA) in conjunction with European Conference on Computer Vision (ECCV) 2024, Milano, Italy (Mailand, 2024-09-29 - 2024-09-29)
Open Access: https://arxiv.org/pdf/2410.21310
Bachhuber S., Weygers I., Seel T.:
Neural ODEs for Data-driven Automatic Self-Design of Finite-time Output Feedback Control for Unknown Nonlinear Dynamics
In: IEEE Control Systems Letters (2023), p. 1-1
ISSN: 2475-1456
DOI: 10.1109/LCSYS.2023.3293277
Erick F., Mina R., Müller J., Kainz B.:
Uncertainty-Aware Vision Transformers for Medical Image Analysis
In: Uncertainty for Safe Utilization of Machine Learning in Medical Imaging: 6th International Workshop, UNSURE 2024, Held in Conjunction with MICCAI 2024, Marrakesh, Morocco, October 10, 2024, Proceedings 2025
DOI: 10.1007/978-3-031-73158-7_16
Oikonomou E., Juli Y., Kolan RR., Kern L., Gruber T., Alzheimer C., Krauß P., Maier A., Huth T.:
A deep learning approach to real-time Markov modeling of ion channel gating.
In: Communications Chemistry (2024), Article No.: 280
ISSN: 2399-3669
DOI: 10.1038/s42004-024-01369-y
Reynaud H., Qiao M., Dombrowski MN., Day T., Razavi R., Gomez A., Leeson P., Kainz B.:
Feature-Conditioned Cascaded Video Diffusion Models for Precise Echocardiogram Synthesis
26th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2023 (Vancouver, BC, 2023-10-08 - 2023-10-12)
In: Hayit Greenspan, Hayit Greenspan, Anant Madabhushi, Parvin Mousavi, Septimiu Salcudean, James Duncan, Tanveer Syeda-Mahmood, Russell Taylor (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2023
DOI: 10.1007/978-3-031-43999-5_14
Kluge C., Pöhnl M., Böckmann R.:
Spontaneous local membrane curvature induced by transmembrane proteins
In: Biophysical Journal 121 (2022), p. 671-683
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2022.01.029
Damp P., Sun Y., Hewa Kankanamge CJK., Jander JH., Rausch MH., Klein T., Koller TM., Fröba AP.:
Thermophysical Properties of n-Hexane under the Influence of Dissolved Hydrogen by Experiments and Equilibrium Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 70 (2025), p. 4548-4568
ISSN: 0021-9568
DOI: 10.1021/acs.jced.5c00475
Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
Activation/Deactivation Free-Energy Profiles for the β2-Adrenergic Receptor: Ligand Modes of Action
In: Journal of Chemical Information and Modeling 63 (2023), p. 6332-6343
ISSN: 1549-9596
DOI: 10.1021/acs.jcim.3c00805
Seeling M., Pöhnl M., Kara S., Horstmann N., Riemer C., Wöhner M., Liang C., Brückner C., Eiring P., Werner A., Biburger M., Altmann L., Schneider M., Amon L., Lehmann C., Lee S., Kunz M., Dudziak D., Schett G., Bäuerle T., Lux A., Tuckermann J., Vögtle T., Nieswandt B., Sauer M., Böckmann R., Nimmerjahn F.:
Immunoglobulin G-dependent inhibition of inflammatory bone remodeling requires pattern recognition receptor Dectin-1
In: Immunity 56 (2023), p. 1046-1063.e7
ISSN: 1074-7613
DOI: 10.1016/j.immuni.2023.02.019
Gourmelon N., Dreier MN., Mayr M., Seehaus T., Pyles DR., Braun M., Maier A., Christlein V.:
SSL4SAR: Self-Supervised Learning for Glacier Calving Front Extraction from SAR Imagery
In: IEEE Transactions on Geoscience and Remote Sensing (2025)
ISSN: 0196-2892
DOI: 10.1109/TGRS.2025.3580945
Thies M., Wagner F., Maul N., Pfaff L., Schneider LS., Syben C., Maier A.:
Optimizing CT Scan Geometries With and Without Gradients
17th International Meeting on Fully Three-Dimensional Image Reconstruction in Radiology and Nuclear Medicine (Fully3D) (Stony Brook University, New York, 2023-07-16 - 2023-07-21)
Open Access: https://arxiv.org/abs/2302.06251
Öttl M., Wilm F., Steenpaß J., Qiu J., Rübner M., Hartmann A., Beckmann M., Fasching P., Maier A., Erber R., Kainz B., Breininger K.:
Style-Extracting Diffusion Models for Semi-supervised Histopathology Segmentation
18th European Conference on Computer Vision, ECCV 2024 (Milan, 2024-09-29 - 2024-10-04)
In: Aleš Leonardis, Elisa Ricci, Stefan Roth, Olga Russakovsky, Torsten Sattler, Gül Varol (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2025
DOI: 10.1007/978-3-031-73226-3_14
Cechnicka S., Ball J., Baugh M., Reynaud H., Simmonds N., Smith AP., Horsfield C., Roufosse C., Kainz B.:
URCDM: Ultra-Resolution Image Synthesis in Histopathology
27th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2024 (Marrakesh, MAR, 2024-10-06 - 2024-10-10)
In: Marius George Linguraru, Qi Dou, Aasa Feragen, Stamatia Giannarou, Ben Glocker, Karim Lekadir, Julia A. Schnabel (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2024
DOI: 10.1007/978-3-031-72083-3_50
URL: https://link.springer.com/chapter/10.1007/978-3-031-72083-3_50
Hewa Kankanamge CJK., Zosel AI., Klein T., Fröba AP.:
Prediction of Fick Diffusion Coefficients in Binary Electrolyte Mixtures
In: International Journal of Thermophysics 46 (2025), Article No.: 142
ISSN: 0195-928X
DOI: 10.1007/s10765-025-03610-9
Trollmann M., Böckmann R.:
Characterization of domain formation in complex membranes
In: Biophysical Approaches for the Study of Membrane Structure, Academic Press Inc., 2024, p. 1-46 (Methods in Enzymology, Vol.701)
DOI: 10.1016/bs.mie.2024.03.006
Mayr M., Neumeier K., Krenz J., Bürcky S., Kordon F., Seuret M., Zöllner J., Wu F., Maier A., Christlein V.:
Data-efficient handwritten text recognition of diplomatic historical text
In: Multimedia Tools and Applications (2025)
ISSN: 1380-7501
DOI: 10.1007/s11042-024-20545-9
URL: https://link.springer.com/article/10.1007/s11042-024-20545-9
Stegmaier M., Schröder C., Müller J., Day T., Cuomo M., Dewald O., Dittrich S., Kainz B.:
Automatic Segmentation of Lymphatic Perfusion in Patients with Congenital Single Ventricle Defects
German Conference on Medical Image Computing, BVM 2024 (Erlangen, 2024-03-10 - 2024-03-12)
In: Andreas Maier, Thomas M. Deserno, Heinz Handels, Klaus Maier-Hein, Christoph Palm, Thomas Tolxdorff (ed.): Bildverarbeitung für die Medizin 2024. BVM 2024, Wiesbaden: 2024
DOI: 10.1007/978-3-658-44037-4_70