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The Journal of Chemical Physics|March 18, 2010
A method for the calculation of rate constants from stochastic transition pathsKonstantin V Klenin, Wolfgang WenzelJournal of Medicinal Chemistry|September 6, 2008
Flexible side chain models improve enrichment rates in in silico screeningDaria B Kokh, Wolfgang WenzelCurrent Computer-Aided Drug Design|October 2, 2010
Optimization methods for virtual screening on novel computational architecturesHoracio Pérez-Sánchez, Wolfgang WenzelThe Journal of Chemical Physics|August 10, 2013
Calculation of the "absolute" free energy of a β-hairpin in an all-atom force fieldKonstantin V Klenin, Wolfgang WenzelNature Materials|May 28, 2021
Machine-learned potentials for next-generation matter simulationsPascal Friederich, Florian Häse, Jonny Proppe, et al.Chemical Science|February 16, 2024
Artificial design of organic emitters via a genetic algorithm enhanced by a deep neural networkAkshatKumar Nigam, Robert Pollice, Pascal Friederich, et al.Physical Chemistry Chemical Physics : PCCP|December 22, 2012
(4,4')-Bipyridine in vacuo and in solvents: a quantum chemical study of a prototypical floppy molecule from a molecular transport perspectiveIoan Bâldea, Horst Köppel, Wolfgang WenzelFEBS Letters|September 3, 2013
Structure based design of protein linkers for zinc finger nucleasePriya Anand, Alexander Schug, Wolfgang WenzelInternational Journal of Biological Macromolecules|February 24, 2024
Impact of DNA on interactions between core proteins of Hepatitis B virus-like particles comprising different C-terminalsSrdjan Pusara, Wolfgang Wenzel, Mariana KozlowskaProteins|September 19, 2007
Receptor-specific scoring functions derived from quantum chemical models improve affinity estimates for in-silico drug discoveryBernhard Fischer, Kaori Fukuzawa, Wolfgang WenzelPageof 21