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Journal of Computational Chemistry|September 16, 2011
Efficient inclusion of receptor flexibility in grid-based protein-ligand dockingSimon Leis, Martin ZachariasJournal of Molecular Recognition : JMR|January 4, 2012
Scoring optimisation of unbound protein-protein docking including protein binding site predictionsSebastian Schneider, Martin ZachariasJournal of Chemical Theory and Computation|November 24, 2015
Elastic Network Models of Nucleic Acids FlexibilityPiotr Setny, Martin ZachariasJournal of Chemical Theory and Computation|October 18, 2021
Tumuc1: A New Accurate DNA Force Field Consistent with High-Level Quantum ChemistryKorbinian Liebl, Martin ZachariasPlos One|October 31, 2012
ReFlexIn: a flexible receptor protein-ligand docking scheme evaluated on HIV-1 proteaseSimon Leis, Martin ZachariasJournal of Chemical Theory and Computation|February 16, 2023
Toward Force Fields with Improved Base Stacking DescriptionsKorbinian Liebl, Martin ZachariasBiophysical Journal|August 30, 2024
Advanced sampling simulations of coupled folding and binding of phage P22 N-peptide to boxB RNALuis Vollmers, Martin ZachariasBiophysical Journal|July 18, 2006
A structure-based simulation approach for electron paramagnetic resonance spectra using molecular and stochastic dynamics simulationsChristian Beier, Heinz-Jürgen SteinhoffACS Chemical Neuroscience|September 22, 2020
How Mutations Perturb γ-Secretase Active Site Studied by Free Energy SimulationsShu-Yu Chen, Martin ZachariasNucleic Acids Research|September 22, 2016
Global deformation facilitates flipping of damaged 8-oxo-guanine and guanine in DNAGiuseppe La Rosa, Martin ZachariasPageof 34