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Bioinformatics (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 ZachariasBiophysical Journal|May 6, 2010
Prediction of protein-protein interaction sites using electrostatic desolvation profilesSébastien Fiorucci, Martin ZachariasPhysical Chemistry Chemical Physics : PCCP|February 11, 2010
Simulation of DNA double-strand dissociation and formation during replica-exchange molecular dynamics simulationsSrinivasaraghavan Kannan, Martin ZachariasProteins|September 7, 2007
Protein-protein docking in CAPRI using ATTRACT to account for global and local flexibilityAndreas May, Martin ZachariasProceedings of the National Academy of Sciences of the United States of America|April 20, 2021
Accurate modeling of DNA conformational flexibility by a multivariate Ising modelKorbinian Liebl, Martin ZachariasBiophysical Journal|September 30, 2004
Conformational flexibility of the MHC class I alpha1-alpha2 domain in peptide bound and free states: a molecular dynamics simulation studyMartin Zacharias, Sebastian SpringerJournal of Computational Chemistry|October 1, 2014
Efficient calculation of relative binding free energies by umbrella sampling perturbationFabian Zeller, Martin ZachariasJournal of Computational Chemistry|December 10, 2013
Hamiltonian replica-exchange simulations with adaptive biasing of peptide backbone and side chain dihedral anglesKatja Ostermeir, Martin ZachariasPageof 34