Helmut Ringsdorf
mit W. Müller, E. Rump, G. Wildburg, X. Zhang, L. Angermaier, W. Knoll, M. Liley und J. Spinke: Attempts to mimic docking ... mit L. Gros und H. Schupp: Polymeric Antitumor Agents on a Molecular and on a Cellular Level?. In: Angewandte Chemie ... Außerdem untersuchte er die Eigenschaften von funktionellen supramolekularen Systemen und führte Versuche zur Simulation von ... mit B. Schlarb und J. Venzmer: Molecular Architecture and Function of Polymeric Oriented Systems. Models for the Study of ...
Folding@home
In: Multiscale Modeling & Simulation. Band 5, 2006, S. 1214, doi:10.1137/06065146X. R. B. Best: Atomistic molecular simulations ... Parallelized-Over-Parts Computation of Absolute Binding Free Energy with Docking and Molecular Dynamics. In: Journal of ... Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39). In: Journal of the American Chemical ... Accelerating molecular dynamic simulation on the cell processor and Playstation 3. In: Journal of computational chemistry. Band ...
Molekulare Mechanik
Molecular dynamics simulation methods revised (Dissertation, Englisch) Molecular mechanics - it is simple Zgarbova M, et al.: ... rigid docking, solvation docking, and MM-PB/SA. In: Journal of Medicinal Chemistry. 48. Jahrgang, Nr. 7, April 2005, S. 2432-44 ... T. Schlick: Molecular modeling and simulation: an interdisciplinary guide. Springer, Berlin 2002, ISBN 0-387-95404-X. Krishnan ... Molecular Mechanics. An American Chemical Society Publication, 1982, ISBN 0-8412-0885-9. V. G. Box: The Molecular Mechanics of ...
Birgit Strodel
Dabei kommen Techniken wie Molekulardynamik-Simulationen und molekulares Docking zum Einsatz. Die Simulationen werden häufig ... Novel inhibitors of the main protease enzyme of SARS-CoV-2 identified via molecular dynamics simulation-guided in vitro assay. ... In: Birgit Strodel, Bogdan Barz (Hrsg.): Progress in Molecular Biology and Translational Science. Band 170, Academic Press, ... Proceedings of the 26th Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics. Band 53, ...