Dr. Harald Lanig

2024

• Bänsch F., Daniel M., Lanig H., Steinbeck C., Zielesny A.:
  An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package
  In: Journal of Cheminformatics 16 (2024), Article No.: 96
  ISSN: 1758-2946
  DOI: 10.1186/s13321-024-00890-5

2023

• Leykauf T., Klein J., Ernst M., Dorfner M., Ignatova A., Kreis W., Lanig H., Munkert J.:
  Overexpression and RNAi-mediated Knockdown of Two 3β-hydroxy-Δ5-steroid dehydrogenase Genes in Digitalis lanata Shoot Cultures Reveal Their Role in Cardenolide Biosynthesis
  In: Planta Medica 89 (2023), p. 833-847
  ISSN: 0032-0943
  DOI: 10.1055/a-2074-9186

2022

• 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

2021

• Dorfner M., Klein J., Lanig H., Kreis W., Munkert J.:
  Identifying structural features for changing substrate preferences in two Plantago PRISEs (pro-gesterone 5 beta-reductase and / or iridoid synthase)
  In: PLANTA MEDICA, STUTTGART: 2021
  DOI: 10.1055/s-0041-1736952
• 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
• Tropper M., Wolf LS., Lanig H., Kreis W.:
  In silico, in vitro, and structural investigations on BAHD-enzymes from different species able to malonylate 21-hydroxypregnanes
  In: PLANTA MEDICA, STUTTGART: 2021
  DOI: 10.1055/s-0041-1736873

2020

• Jäger CM., Lanig H.:
  If you do not try, you will never know!: Foreword for the Tim Clark 70th Birthday Festschrift
  In: Journal of Molecular Modeling 26 (2020), Article No.: 42
  ISSN: 1610-2940
  DOI: 10.1007/s00894-019-4278-y
• Krüll J., Fehler S., Hofmann L., Nebel N., Maschauer S., Prante O., Gmeiner P., Lanig H., Hübner H., Heinrich M.:
  Synthesis, Radiosynthesis and Biological Evaluation of Buprenorphine-Derived Phenylazocarboxamides as Novel mu-Opioid Receptor Ligands
  In: ChemMedChem (2020)
  ISSN: 1860-7179
  DOI: 10.1002/cmdc.202000180

2019

• Sasaki T., von der Mark K., Lanig H.:
  Molecular dynamics simulations on human fibulin-4 mutants D203A and E126K reveal conformational changes in EGF domains potentially responsible for enhanced protease lability and impaired extracellular matrix assembly
  In: Biochimica Et Biophysica Acta-Proteins and Proteomics 1867 (2019), p. 748-756
  ISSN: 1570-9639
  DOI: 10.1016/j.bbapap.2019.05.007
  URL: https://www.sciencedirect.com/science/article/pii/S1570963919300871

2018

• Lanig H.:
  Molecular Dynamics
  In: Thomas Engel and Johann Gasteiger (ed.): Chemoinformatics: Basic Concepts and Methods, Weinheim: Wiley-VCH Verlag GmbH & Co. KGaA, 2018, p. 303-321
• Lanig H.:
  Molecular Mechanics
  In: Thomas Engel and Johann Gasteiger (ed.): Chemoinformatics: Basic Concepts and Methods, Weinheim: Wiley-VCH Verlag GmbH & Co. KGaA, 2018, p. 303-321

2016

• Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, van den Broek K, Epple M, Kuhn H, Truszkowski A, Zielesny A, Fraaije JH, Gracia RS, Kast SM, Bulusu KC, Bender A, Yosipof A, Nahum O, Senderowitz H, Krotzky T, Schulz R, Wolber G, Bietz S, Rarey M, Zimmermann MO, Lange A, Ruff M, Heidrich J, Onlia I, Exner TE, Boeckler FM, Bermudez M, Firaha DS, Hollóczki O, Kirchner B, Tautermann CS, Volkamer A, Eid S, Turk S, Rippmann F, Fulle S, Saleh N, Saladino G, Gervasio FL, Haensele E, Banting L, Whitley DC, Oliveira Santos JS, Bureau R, Clark T, Sandmann A, Lanig H, Kibies P, Heil J, Hoffgaard F, Frach R, Engel J, Smith S, Basu D, Rauh D, Kohlbacher O, Boeckler FM, Essex JW, Bodnarchuk MS, Ross GA, Finkelmann AR, Göller AH, Schneider G, Husch T, Schütter C, Balducci A, Korth M, Ntie-Kang F, Günther S, Sippl W, Mbaze LM, Ntie-Kang F, Simoben CV, Lifongo LL, Ntie-Kang F, Judson P, Barilla J, Lokajíček MV, Pisaková H, Simr P, Kireeva N, Petrov A, Ostroumov D, Solovev VP, Pervov VS, Friedrich NO, Sommer K, Rarey M, Kirchmair J, Proschak E, Weber J, Moser D, Kalinowski L, Achenbach J, Mackey M, Cheeseright T, Renner G, Renner G, Schmidt TC, Schram J, Egelkraut-Holtus M, van Oeyen A, Kalliokoski T, Fourches D, Ibezim A, Mbah CJ, Adikwu UM, Nwodo NJ, Steudle A, Masek BB, Nagy S, Baker D, Soltanshahi F, Dorfman R, Dubrucq K, Patel H, Koch O, Mrugalla F, Kast SM, Ain QU, Fuchs JE, Owen RM, Omoto K, Torella R, Pryde DC, Glen R, Bender A, Hošek P, Spiwok V, Mervin LH, Barrett I, Firth M, Murray DC, McWilliams L, Cao Q, Engkvist O, Warszycki D, Śmieja M, Bojarski AJ, Aniceto N, Freitas A, Ghafourian T, Herrmann G, Eigner-Pitto V, Naß A, Kurczab R, Bojarski AJ, Lange A, Günther MB, Hennig S, Büttner FM, Schall C, Sievers-Engler A, Ansideri F, Koch P, Stehle T, Laufer S, Böckler FM, Zdrazil B, Montanari F, Ecker GF, Grebner C, Hogner A, Ulander J, Edman K, Guallar V, Tyrchan C, Ulander J, Tyrchan C, Klute W, Bergström F, Kramer C, Nguyen QD, Frach R, Kibies P, Strohfeldt S, Böttcher S, Pongratz T, Horinek D, Kast SM, Rupp B, Al-Yamori R, Lisurek M, Kühne R, Furtado F, van den Broek K, Wessjohann L, Mathea M, Baumann K, Mohamad-Zobir SZ, Fu X, Fan TP, Bender A, Kuhn MA, Sotriffer CA, Zoufir A, Li X, Mervin L, Berg E, Polokoff M, Ihlenfeldt WD, Ihlenfeldt WD, Pretzel J, Alhalabi Z, Fraczkiewicz R, Waldman M, Clark RD, Shaikh N, Garg P, Kos A, Himmler HJ, Sandmann A, Jardin C, Sticht H, Steinbrecher TB, Dahlgren M, Cappel D, Lin T, Wang L, Krilov G, Abel R, Friesner R, Sherman W, Pöhner IA, Panecka J, Wade RC, Bietz S, Schomburg KT, Hilbig M, Rarey M, Jäger C, Wieczorek V, Westerhoff LM, Borbulevych OY, Demuth HU, Buchholz M, Schmidt D, Rickmeyer T, Krotzky T, Kolb P, Mittal S, Sánchez-García E, Nogueira MS, Oliveira TB, da Costa FB, Schmidt TJ:
  11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
  In: Journal of Cheminformatics 8 (2016), p. 18
  ISSN: 1758-2946
  DOI: 10.1186/s13321-016-0119-5
• Sasaki T., Hanisch FG., Deutzmann R., Sakai LY., Sakuma T., Miyamoto T., Yamamoto T., Hannappel E., Chu ML., Lanig H., Mark K.:
  Functional consequence of fibulin-4 missense mutations associated with vascular and skeletal abnormalities and cutis laxa
  In: Matrix Biology 56 (2016), p. 132-149
  ISSN: 0945-053X
  DOI: 10.1016/j.matbio.2016.06.003

2015

• Lanig H., Jaeger CM., Shubina T.:
  A topical collection on the occasion of Tim Clark's 65th birthday; Editorial
  In: Journal of Molecular Modeling 21 (2015), p. 62
  ISSN: 0948-5023
  DOI: 10.1007/s00894-015-2618-0
  URL: http://link.springer.com/article/10.1007%2Fs00894-015-2618-0
• Lanig H., Reisen F., Whitley D., Schneider G., Banting L., Clark T.:
  In Silico Adoption of an Orphan Nuclear Receptor NR4A1
  In: PLoS ONE 10 (2015)
  ISSN: 1932-6203
  DOI: 10.1371/journal.pone.0135246
• Petersen J., Lanig H., Munkert J., Bauer P., Müller-Uri F., Kreis W.:
  Progesterone 5β-reductases/iridoid synthases (PRISE): gatekeeper role of highly conserved phenylalanines in substrate preference and trapping is supported by molecular dynamics simulations
  In: Journal of Biomolecular Structure & Dynamics (2015), p. 1-14
  ISSN: 0739-1102
  DOI: 10.1080/07391102.2015.1088797

2014

• Kling R., Tschammer N., Lanig H., Clark T., Gmeiner P.:
  Active-State Model of a Dopamine D2 Receptor - Gαi Complex Stabilized by Aripiprazole-Type Partial Agonists
  In: PLoS ONE 9 (2014), Article No.: e100069
  ISSN: 1932-6203
  DOI: 10.1371/journal.pone.0100069
  URL: http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0100069

2013

• Kling R., Lanig H., Clark T., Gmeiner P.:
  Active-State Models of Ternary GPCR Complexes: Determinants of Selective Receptor-G-Protein Coupling
  In: PLoS ONE 8 (2013), Article No.: e67244
  ISSN: 1932-6203
  DOI: 10.1371/journal.pone.0067244

2012

• Wick C., Lanig H., Jäger C., Burzlaff N., Clark T.:
  Structural insight into the prolyl hydroxylase PHD2: A molecular dynamics and DFT study
  In: European Journal of Inorganic Chemistry (2012), p. 4973-4985
  ISSN: 1434-1948
  DOI: 10.1002/ejic.201200391

2011

• Goetz A., Lanig H., Gmeiner P., Clark T.:
  Molecular dynamics simulations of the effect of the G-protein and diffusible ligands on the β2-adrenergic receptor
  In: Journal of Molecular Biology 414 (2011), p. 611-623
  ISSN: 0022-2836
  DOI: 10.1016/j.jmb.2011.10.015

2010

• Borte S., Lanig H., Borte M., Fasshauer M., Sack U.:
  Therapeutic Implications of the IL-21: IL-4 Receptor System in Children with Common Variable Immunodeficiency Syndrome
  In: Klinische Pädiatrie 222 (2010), p. 362-367
  ISSN: 0300-8630
  DOI: 10.1055/s-0030-1265207
  URL: https://www.thieme-connect.de/DOI/DOI?10.1055/s-0030-1265207
• Singer H., Kellner C., Lanig H., Aigner M., Stockmeyer B., Oduncu FS., Schwemmlein M., Stein C., Mentz K., Mackensen A., Fey G.:
  Effective elimination of acute myeloid leukemic cells by recombinant bispecific antibody derivatives directed against CD33 and CD16.
  In: Journal of immunotherapy (Hagerstown, Md. : 1997) 33 (2010), p. 599-608
  ISSN: 1537-4513
  DOI: 10.1097/CJI.0b013e3181dda225

2009

• Ehrlich K., Götz A., Bollinger S., Tschammer N., Bettinetti L., Härterich S., Hübner H., Lanig H., Gmeiner P.:
  Dopamine D2, D3, and D4 selective phenylpiperazines as molecular probes to explore the origins of subtype specific receptor binding.
  In: Journal of Medicinal Chemistry 52 (2009), p. 4923-4935
  ISSN: 0022-2623
  DOI: 10.1021/jm900690y
• Haberl F., Lanig H., Clark T.:
  Induction of the tetracycline repressor: Characterization by molecular-dynamics simulations
  In: Proteins-Structure Function and Bioinformatics 77 (2009), p. 857-866
  ISSN: 0887-3585
  DOI: 10.1002/prot.22505
• Kormann C., Pimenta I., Löber S., Wimmer C., Lanig H., Clark T., Hillen W., Gmeiner P.:
  Diarylpropane-1,3-dione derivatives as TetR-inducing tetracycline mimetics: Synthesis and biological investigations
  In: ChemBioChem 10 (2009), p. 2924-2933
  ISSN: 1439-4227
  DOI: 10.1002/cbic.200900564

2008

• Böiers U., Lanig H., Sehnert B., Holmdahl R., Burkhardt H.:
  Collagen type II is recognized by a pathogenic antibody through germline encoded structures.
  In: European Journal of Immunology 38 (2008), p. 2784-95
  ISSN: 0014-2980
  DOI: 10.1002/eji.200838238
• Haberl F., Othersen O., Seidel U., Lanig H., Clark T.:
  Investigating Protein-Protein and Protein-Ligand Interactions by Molecular Dynamics Simulations
  In: High Performance Computing in Science and Engineering, Berlin: Springer, 2008, p. 153-164
  DOI: 10.1007/978-3-540-69182-2_12
  (anderer)
• Lanig H., Clark T.:
  The Chemistry of Signal Transduction in the TetR System
  In: M. G. Hicks, C. Kettner (ed.): Systems Chemistry - Proceedings of the International Beilstein Workshop 2008, 2008
• Rusu CF., Lanig H., Othersen O., Kryschi C., Clark T.:
  Monitoring biological membrane-potential changes: A CI QM/MM study
  In: Journal of Physical Chemistry B 112 (2008), p. 2445-2455
  ISSN: 1520-6106
  DOI: 10.1021/jp075372+

2007

• Einsiedel J., Lanig H., Waibel R., Gmeiner P.:
  Molecular Building Kit of Fused-Proline-Derived Peptide Mimetics Allowing Specific Adjustment of the Dihedral Psi Angle
  In: Journal of Organic Chemistry 72 (2007), p. 9102-9113
  ISSN: 0022-3263
  DOI: 10.1021/jo701703e
• Mark H., Pöschl E., Lanig H., Sasaki T., Deutzmann R., Mark K.:
  Distinct acidic clusters and hydrophobic residues in the alternative splice domains X1 and X2 of alpha7 integrins define specificity for laminin isoforms.
  In: Journal of Molecular Biology 371 (2007), p. 1188-203
  ISSN: 0022-2836
  DOI: 10.1016/j.jmb.2007.05.074
• Seidel U., Othersen O., Lanig H., Beierlein F., Clark T.:
  Molecular Dynamics Characterization of the Structures and Induction Mechanisms of a Reverse Phenotype of the Tetracycline Receptor
  In: Journal of Physical Chemistry B 111 (2007), p. 6006-6014
  ISSN: 1520-6106
  DOI: 10.1021/jp0674468

2006

• Beierlein F., Othersen O., Lanig H., Schneider S., Clark T.:
  Simulating FRET from tryptophan: Is the rotamer model correct?
  In: Journal of the American Chemical Society 128 (2006), p. 5142-5152
  ISSN: 0002-7863
  DOI: 10.1021/ja058414l
• Dotzauer B., Grunert R., Bednarski PJ., Lanig H., Landwehr J., Troschütz R.:
  2,4-diamino-9H-pyrimido[4,5-b]indol-5-ols: Synthesis, in vitro cytotoxic activity, and QSAR investigations
  In: Bioorganic & Medicinal Chemistry 14 (2006), p. 7282-7292
  ISSN: 0968-0896
  DOI: 10.1016/j.bmc.2006.06.051
• Homeyer N., Horn A., Lanig H., Sticht H.:
  AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine.
  In: Journal of Molecular Modeling 12 (2006), p. 281-9
  ISSN: 0948-5023
  DOI: 10.1007/s00894-005-0028-4
• Lanig H., Othersen O., Beierlein F., Seidel U., Clark T.:
  Molecular dynamics simulations of the tetracycline-repressor protein: The mechanism of induction
  In: Journal of Molecular Biology 359 (2006), p. 1125-1136
  ISSN: 0022-2836
  DOI: 10.1016/j.jmb.2006.04.014
• Lanig H., Othersen O., Seidel U., Beierlein F., Exner T., Clark T.:
  Structural changes and binding characteristics of the tetracycline-repressor binding site on induction
  In: Journal of Medicinal Chemistry 49 (2006), p. 3444-3447
  ISSN: 0022-2623
  DOI: 10.1021/jm060289g
• Othersen O., Lanig H., Clark T.:
  The structure of 5a,6-anhydrotetracycline and its Mg2+ complexes in aqueous solution
  In: Journal of Molecular Modeling 12 (2006), p. 953-963
  ISSN: 1610-2940
  DOI: 10.1007/s00894-005-0055-1
• Othersen O., Waibel R., Lanig H., Gmeiner P., Clark T.:
  SCRF-DFT and NMR Comparison of Tetracycline and 5a,6-Anhydrotetracycline in Solution
  In: Journal of Physical Chemistry B 110 (2006), p. 24766-24774
  ISSN: 1520-6106
  DOI: 10.1021/jp064457s
  URL: http://pubs.acs.org/doi/abs/10.1021/jp064457s

2005

• Böckler F., Lanig H., Gmeiner P.:
  Modeling the Similarity and Divergence of Dopamine D2-like Receptors and Identification of Validated Ligand-Receptor Complexes
  In: Journal of Medicinal Chemistry 48 (2005), p. 694-709
  ISSN: 0022-2623
  DOI: 10.1021/jm049612a

2004

• Beierlein F., Lanig H., Othersen O., Schneider S., Clark T.:
  MD/CI-approach simulating FRET in proteins.
  In: ACS National Meeting Book of Abstracts 227 (2004), p. U1025-U1025
  ISSN: 0065-7727
  (anderer)
• Breitinger HG, Lanig H, Vohwinkel C, Grewer C, Breitinger U, Clark T, Becker CM:
  Molecular dynamics simulation links conformation of a pore-flanking region to hyperekplexia-related dysfunction of the inhibitory glycine receptor
  In: Chemistry & Biology 11 (2004), p. 1339-1350
  ISSN: 1074-5521
  DOI: 10.1016/j.chembiol.2004.07.008
• Horn A., Beierlein F., Lanig H., Schürer G., Clark T.:
  Quantum mechanical/molecular mechanical (QM/MM) docking: A new protocol and its evaluation for known test systems.
  In: ACS National Meeting Book of Abstracts 227 (2004), p. U1025-U1025
  ISSN: 0065-7727
  (Zeitungsartikel)
• Lanig H., Bradl H., Jäck HM.:
  Three-dimensional modeling of a pre-B-cell receptor.
  In: Molecular Immunology 40 (2004), p. 1263-72
  ISSN: 0161-5890
  DOI: 10.1016/j.molimm.2003.11.030
• Leypold C., Marian DT., Roman C., Schneider S., Schubert P., Scholz O., Hillen W., Clark T., Lanig H.:
  How does Mg2+ affect the binding of anhydrotetracycline in the TetR protein?
  In: Photochemical & Photobiological Sciences 3 (2004), p. 109-119
  ISSN: 1474-905X
  DOI: 10.1039/b303431n
• Schürer G., Lanig H., Clark T.:
  Aeromonas proteolytica aminopeptidase: An investigation of the mode of action using a quantum mechanical/molecular mechanical approach
  In: Biochemistry 43 (2004), p. 5414-5427
  ISSN: 0006-2960
  DOI: 10.1021/bi0340191
• Zink M., Lanig H., Troschütz R.:
  Structural variations of piritrexim, a lipophilic inhibitor of human dihydrofolate reductase: synthesis, antitumor activity and molecular modeling investigations.
  In: European Journal of Medicinal Chemistry 39 (2004), p. 1079-88
  ISSN: 0223-5234
  DOI: 10.1016/j.ejmech.2004.09.001
  URL: https://www.sciencedirect.com/science/article/pii/S022352340400176X?via%3Dihub

2003

• Beierlein F., Lanig H., Schürer G., Horn A., Clark T.:
  Quantum mechanical/molecular mechanical (QM/MM) docking: an evaluation for known test systems
  In: Molecular Physics 101 (2003), p. 2469-2480
  ISSN: 0026-8976
  DOI: 10.1080/0026897031000092940
• Braun M., Atalick S., Guldi DM., Lanig H., Brettreich M., Burghardt S., Hatzimarinaki M., Ravanelli E., Prato M., van Eldik R., Hirsch A.:
  Electrostatic complexation and photoinduced electron transfer between Zn-Cytochrome c and polyanionic fullerene dendrimers
  In: Chemistry - A European Journal 9 (2003), p. 3867-3875
  ISSN: 0947-6539
  DOI: 10.1002/chem.200204680
• Lanig H.:
  Molecular Dynamics
  In: Chemoinformatics - A Textbook, Weinheim: Wiley-VCH, 2003, p. 359-375
• Lanig H.:
  Molecular Mechanics
  In: Chemoinformatics - A Textbook, 2003, p. 338-358
• Lanig H.:
  Molecular Mechanics
  In: Handbook of Chemoinformatics - From Data to Knowledge, Weinheim: Wiley-VCH, 2003, p. 920-946
• Othersen O., Beierlein F., Lanig H., Clark T.:
  Conformations and tautomers of tetracycline
  In: Journal of Physical Chemistry B 107 (2003), p. 13743-13749
  ISSN: 1520-6106
  DOI: 10.1021/jp0364506
• Othersen O., Lanig H., Clark T.:
  Systematic surface scan of the most favorable interaction sites of magnesium ions with tetracycline
  In: Journal of Medicinal Chemistry 46 (2003), p. 5571-5574
  ISSN: 0022-2623
  DOI: 10.1021/jm034199c

2002

• Engel T., Käb G., Lanig H.:
  Intramolecular photoinduced electron transfer in zwitterionic quinolinium dyes - Experimental and theoretical studies.
  In: Zeitschrift für Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics 216 (2002), p. 305-332
  ISSN: 0942-9352
  DOI: 10.1524/zpch.2002.216.3.305

2001

• Hoffmann T., Lanig H., Waibel R., Gmeiner P.:
  Rational Molecular Design and EPC Synthesis of a Type VI ß-Turn Inducing Peptide Mimetic
  In: Angewandte Chemie International Edition 40 (2001), p. 3361-3364
  ISSN: 1433-7851
  DOI: 10.1002/1521-3773(20010917)40:183.0.CO;2-9
• Lanig H.:
  Modeling and validation of protein structures.
  In: Nachrichten aus der Chemie 49 (2001), p. 1196-1199
  ISSN: 1439-9598
• Lanig H., Utz W., Gmeiner P.:
  Comparative molecular field analysis of dopamine D4 receptor antagonists including 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo-[2,3-b]pyridine (L-745,870), and clozapine.
  In: Journal of Medicinal Chemistry 44 (2001), p. 1151-7
  ISSN: 0022-2623
  DOI: 10.1021/jm001055e
• Lanig H., Utz W., Gmeiner P., Lanig H.:
  Comparative Molecular Field Analysis of Dopamine D4 Receptor Antagonists Including 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine (L-745,870), and Clozapine
  In: Journal of Medicinal Chemistry 44 (2001), p. 1151-1157
  ISSN: 0022-2623
  DOI: 10.1021/jm001055e

2000

• Grohmann A., Lanig H., Bauer W., Schmidt S., Heinemann FW.:
  Molecular dynamics of a Schiff base tetramacrocycle studied by NMR and MD simulations.
  In: Journal of Molecular Modeling 6 (2000), p. 119-125
  ISSN: 0948-5023
  DOI: 10.1007/PL00010723
• Schmidt S., Bauer W., Heinemann FW., Lanig H., Grohmann A.:
  Spontaneous Assembly of a Schiff Base Tetramacrocycle.
  In: Angewandte Chemie-International Edition 39 (2000), p. 913-916
  ISSN: 1433-7851
  DOI: 10.1002/(SICI)1521-3773(20000303)39:5%3C913::AID-ANIE913%3E3.0.CO;2-Y
• Schürer G., Lanig H., Clark T., Lanig H.:
  The mode of action of phospholipase A(2): Semiempirical MO calculations including the protein environment
  In: Journal of Physical Chemistry B 104 (2000), p. 1349-1361
  ISSN: 1520-6106
  DOI: 10.1021/jp993330i

1999

• Clark T., Alex A., Beck B., Gedeck P., Lanig H.:
  A semiempirical QM/MM implementation and its application to the absorption of organic molecules in zeolites
  In: Journal of Molecular Modeling 5 (1999), p. 1-7
  ISSN: 0948-5023
  DOI: 10.1007/s008940050100
• Hennemann M., Clark T., Lanig H.:
  3D-QSAR OF D4-antagonists based on full conformational searches and quantum mechanically derived descriptors
  In: ACS National Meeting Book of Abstracts 217 (1999), p. U682-U683
  ISSN: 0065-7727
• Lanig H., Clark T., Gottschalk M., Schneider S.:
  Conformational Analysis of Tetracycline using Molecular Mechanical and Semiempirical MO-Calculations
  In: Journal of Molecular Modeling 5 (1999), p. 46-62
  ISSN: 1610-2940
  DOI: 10.1007/s008940050104

1998

• Lanig H., Clark T.:
  QM/MM calculations on the dimerization of vancomycin
  In: Journal of Molecular Graphics & Modelling 16 (1998), p. 272-272
  ISSN: 1093-3263
• Schürer G., Lanig H., Clark T.:
  The catalytic mechanism of phospholipase A2: Semiempirical calculations including the protein environment by a QM/MM approach
  In: Journal of Molecular Graphics & Modelling 16 (1998), p. 278-278
  ISSN: 1093-3263

1997

• Clark T., Gedeck P., Lanig H., Beck B.:
  QM (semiempirical MO) MM binding studies.
  In: ACS National Meeting Book of Abstracts 214 (1997), p. 223-COMP
  ISSN: 0065-7727
  (anderer)
• Clark T., Gedeck P., Lanig H., Schürer G.:
  Semi-empirical MO calculations on enzyme reaction mechanisms
  In: L. Banci, P. Comba (ed.): Molecular Modeling and Dynamics of Bioinorganic Systems, Dordrecht: Kluwer Academic Publishers, 1997, p. 307-317 (NATO ASI Series, Vol.41)
  DOI: 10.1007/978-94-011-5171-9_14
• Lanig H., Hof M., Bringmann G., Schneider F.:
  Time-resolved fluorescence spectroscopy of helically distorted aromatic systems.
  In: Chemical Physics Letters 272 (1997), p. 478-483
  ISSN: 0009-2614
  DOI: 10.1016/S0009-2614(97)00540-X
• Lanig H., Hutterer R., Schneider FW., Hof M.:
  Solvent relaxation behaviour of n-anthroyloxy fatty acids in PC-vesicles and paraffin oil: a time-resolved emission spectra study.
  In: BBA - Biochimica et Biophysica Acta 1323 (1997), p. 195-207
  ISSN: 0006-3002
  DOI: 10.1016/S0005-2736(96)00186-1

1995

• Käb G., Engel T., Lanig H., Schneider F.:
  The Inverted Region of Electron Transfer in Intramolecular Fluorescence Quenching of Quinolinium Betaines.
  In: Berichte der Bunsengesellschaft für physikalische Chemie 99 (1995), p. 118-126
  ISSN: 0005-9021
  DOI: 10.1002/bbpc.19950990205
• Lanig H., Engel T., Käb G., Schneider F.:
  Fluorescence quenching by electron transfer in quinolinium betaines. Semiempirical and experimental studies
  In: Chemical Physics Letters 235 (1995), p. 58-64
  ISSN: 0009-2614
  DOI: 10.1016/0009-2614(95)00078-I
  URL: https://www.sciencedirect.com/science/article/pii/000926149500078I?via%3Dihub

1994

• Kastenholz F., Grell E., Bats J., Quinkert G., Brand C., Lanig H., Schneider FW.:
  Fluorescence studies and semiempirical calculations on alkali ion indicators
  In: Journal of Fluorescence 4 (1994), p. 243-246
  ISSN: 1053-0509
  DOI: 10.1007/BF01878457
  URL: https://link.springer.com/article/10.1007%2FBF01878457
• Lanig H., Hof M., Stahl T., Schneider F.:
  Intramolecular Deactivation of Substituted Quinolinium Cations. Time-resolved Fluorescence and Semi-empirical Calculations.
  In: Chemical Physics Letters 220 (1994), p. 423-428
  ISSN: 0009-2614
  DOI: 10.1016/0009-2614(94)00204-5
  URL: https://www.sciencedirect.com/science/article/pii/0009261494002045?via%3Dihub#!