Zentralinstitut für Scientific Computing (ZISC)

Address:
Martensstraße 5a
91058 Erlangen


Related Project(s)


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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Sasaki, T., von der Mark, K., & Lanig, H. (2019). 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. Biochimica Et Biophysica Acta-Proteins and Proteomics, 1867(9), 748-756. https://dx.doi.org/10.1016/j.bbapap.2019.05.007
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. (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. (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
Petersen, J., Lanig, H., Munkert, J., Bauer, P., Müller-Uri, F., & Kreis, W. (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
Scharpff, T., Iglberger, K., Hager, G., & Rüde, U. (2013). Model-guided Performance Analysis of the Sparse Matrix-Matrix Multiplication. In HPCS2013 Conference Proceedings (Preprint bei arXiv) (pp. 1-8). Helsinki, Finnland, FI.
Götz, J., Donath, S., Feichtinger, C., Iglberger, K., Köstler, H., & Rüde, U. (2012). waLBerla: Simulation of Complex Flows on Supercomputers. In NIC Symposium 2012 - Proceedings (pp. 349-356). Jülich, DE: Jülich: FZ Jülich.
Pickl, K., Götz, J., Iglberger, K., Pande, J., Mecke, K., Smith, A.-S., & Rüde, U. (2012). All good things come in threes - Three beads learn to swim with lattice Boltzmann and a rigid body solver. Journal of Computational Science, 3(5), 374-387. https://dx.doi.org/10.1016/j.jocs.2012.04.009
Iglberger, K., Hager, G., Eitzinger, J., & Rüde, U. (2012). High performance smart expression template math libraries. In High Performance Computing and Simulation (HPCS) 2012, International Conference on (pp. 367-373). Madrid.
Iglberger, K., Hager, G., Eitzinger, J., & Rüde, U. (2011). Expression Templates Revisited: A Performance Analysis of the Current ET Methodology. SIAM Journal on Scientific Computing, 1-15.
Singer, H., Kellner, C., Lanig, H., Aigner, M., Stockmeyer, B., Oduncu, F.S.,... Fey, G. (2010). Effective elimination of acute myeloid leukemic cells by recombinant bispecific antibody derivatives directed against CD33 and CD16. Journal of immunotherapy (Hagerstown, Md. : 1997), 33(6), 599-608. https://dx.doi.org/10.1097/CJI.0b013e3181dda225
Borte, S., Lanig, H., Borte, M., Fasshauer, M., & Sack, U. (2010). Therapeutic Implications of the IL-21: IL-4 Receptor System in Children with Common Variable Immunodeficiency Syndrome. Klinische Pädiatrie, 222(6), 362-367. https://dx.doi.org/10.1055/s-0030-1265207
Iglberger, K., & Rüde, U. (2010). Massively parallel granular flow simulations with non-spherical particles. Computer Science - Research and Development, 25(1-2), 105-113. https://dx.doi.org/10.1007/s00450-010-0114-4
Iglberger, K. (2010). Software Design of a Massively Parallel Rigid Body Framework (Dissertation).
Iglberger, K., & Rüde, U. (2010). The Logging Functionality of the pe Physics Engine.
Götz, J., Iglberger, K., Feichtinger, C., & Rüde, U. (2010). Simple Techniques to improve Fluid Structure Interaction Methods in waLBerla.
Iglberger, K., & Rüde, U. (2010). Large-scale rigid body simulations. Multibody System Dynamics, 25(1), 81-95. https://dx.doi.org/10.1007/s11044-010-9212-0
Götz, J., Iglberger, K., Stürmer, M., & Rüde, U. (2010). Direct Numerical Simulation of Particulate Flows on 294912 Processor Cores. In 2010 ACM/IEEE International Conference for High Performance Computing, Networking, Storage and Analysis (pp. 1-11). New Orleans, US.
Götz, J., Iglberger, K., Feichtinger, C., Donath, S., & Rüde, U. (2010). Coupling multibody dynamics and computational fluid dynamics on 8192 processor cores. Parallel Computing, 36(2-3), 142-151. https://dx.doi.org/10.1016/j.parco.2010.01.005


Publications in addition (Download BibTeX)


Sasaki, T., von der Mark, K., & Lanig, H. (2019). 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. Biochimica Et Biophysica Acta-Proteins and Proteomics, 1867(9), 748-756. https://dx.doi.org/10.1016/j.bbapap.2019.05.007
Werner, S., Stingl, M., & Leugering, G. (2017). Model-based control of dynamic frictional contact problems using the example of hot rolling. Computer Methods in Applied Mechanics and Engineering, 319, 442-471. https://dx.doi.org/10.1016/j.cma.2017.03.006
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., 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
Rusu, C.F., Lanig, H., Othersen, O., Kryschi, C., & Clark, T. (2008). Monitoring biological membrane-potential changes: A CI QM/MM study. Journal of Physical Chemistry B, 112(8), 2445-2455. https://dx.doi.org/10.1021/jp075372+

Last updated on 2019-24-04 at 10:19