PD Dr. Harald Lanig


Managing Director Central Institute for Scientific Computing (ZISC)


Scopus Author ID: 56060030300



Organisation


Computer-Chemie-Centrum
Exzellenz-Cluster Engineering of Advanced Materials



Project lead


P&G SimCenter: P&G SimCenter
PD Dr. rer. nat. Harald Lanig
(23/05/2014 - 22/05/2015)


Publications (Download BibTeX)

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Lanig, H. (2018). Molecular Dynamics. In Thomas Engel and Johann Gasteiger (Eds.), Chemoinformatics: Basic Concepts and Methods. (pp. 303-321). Weinheim: Wiley-VCH Verlag GmbH & Co. KGaA.
Lanig, H. (2018). Molecular Mechanics. In Thomas Engel and Johann Gasteiger (Eds.), Chemoinformatics: Basic Concepts and Methods. Weinheim: 2018Wiley-VCH Verlag GmbH & Co. KGaA.
Lanig, H. (2016). 11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015. Journal of Cheminformatics , 8(Suppl 1), 18. https://dx.doi.org/10.1186/s13321-016-0119-5
Sasaki, T., Hanisch, F.-G., Deutzmann, R., Sakai, L.Y., Sakuma, T., Miyamoto, T.,... Mark, K. (2016). Functional consequence of fibulin-4 missense mutations associated with vascular and skeletal abnormalities and cutis laxa. Matrix Biology, 56, 132-149. https://dx.doi.org/10.1016/j.matbio.2016.06.003
Lanig, H., Jaeger, C.M., & Shubina, T. (2015). A topical collection on the occasion of Tim Clark's 65th birthday; Editorial. Journal of Molecular Modeling, 21, 62. https://dx.doi.org/10.1007/s00894-015-2618-0
Lanig, H., Reisen, F., Whitley, D., Schneider, G., Banting, L., & Clark, T. (2015). In Silico Adoption of an Orphan Nuclear Receptor NR4A1. PLoS ONE, 10(8). https://dx.doi.org/10.1371/journal.pone.0135246
Kreis, W., Müller-Uri, F., Munkert, J., Petersen, J.-H., Lanig, H., & Bauer, P. (2015). Progesterone 5β-reductases/iridoid synthases (PRISE): gatekeeper role of highly conserved phenylalanines in substrate preference and trapping is supported by molecular dynamics simulations. Journal of Biomolecular Structure & Dynamics, 12, 1-14. https://dx.doi.org/10.1080/07391102.2015.1088797
Kling, R., Tschammer, N., Lanig, H., Clark, T., & Gmeiner, P. (2014). Active-State Model of a Dopamine D2 Receptor - Gαi Complex Stabilized by Aripiprazole-Type Partial Agonists. PLoS ONE, 9. https://dx.doi.org/10.1371/journal.pone.0100069
Kling, R., Lanig, H., Clark, T., & Gmeiner, P. (2013). Active-State Models of Ternary GPCR Complexes: Determinants of Selective Receptor-G-Protein Coupling. PLoS ONE, 8(6). https://dx.doi.org/10.1371/journal.pone.0067244
Wick, C., Lanig, H., Jäger, C., Burzlaff, N., & Clark, T. (2012). Structural insight into the prolyl hydroxylase PHD2: A molecular dynamics and DFT study. European Journal of Inorganic Chemistry, 31, 4973-4985. https://dx.doi.org/10.1002/ejic.201200391

Last updated on 2018-26-07 at 14:32