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The Journal of Physical Chemistry. B|June 18, 2010
Hydration in discrete water. A mean field, cellular automata based approach to calculating hydration free energiesPiotr Setny, Martin ZachariasJournal of Structural Biology|March 11, 2009
Simulated annealing coupled replica exchange molecular dynamics--an efficient conformational sampling methodSrinivasaraghavan Kannan, Martin ZachariasProteins|January 29, 2009
Folding simulations of Trp-cage mini protein in explicit solvent using biasing potential replica-exchange molecular dynamics simulationsSrinivasaraghavan Kannan, Martin ZachariasProteins|September 23, 2014
Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulationsKatja Ostermeir, Martin ZachariasThe Journal of Physical Chemistry. B|August 28, 2014
Rapid alchemical free energy calculation employing a generalized born implicit solvent modelKatja Ostermeir, Martin ZachariasPlos One|February 17, 2017
Accelerated flexible protein-ligand docking using Hamiltonian replica exchange with a repulsive biasing potentialKatja Ostermeir, Martin ZachariasMethods in Molecular Biology (Clifton, N.J.)|February 26, 2017
Application of the ATTRACT Coarse-Grained Docking and Atomistic Refinement for Predicting Peptide-Protein InteractionsChristina Schindler, Martin ZachariasBioinformatics (Oxford, England)|January 22, 2026
De novo protein ligand design including protein flexibility and conformational adaptationJakob Agamia, Martin ZachariasJournal of Structural Biology|October 2, 2012
Combining geometric pocket detection and desolvation properties to detect putative ligand binding sites on proteinsSebastian Schneider, Martin ZachariasProteins|August 18, 2010
Binding site prediction and improved scoring during flexible protein-protein docking with ATTRACTSébastien Fiorucci, Martin ZachariasPageof 34