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Journal of Computational Chemistry|March 10, 2020
Prediction of protein-protein complexes using replica exchange with repulsive scalingTill Siebenmorgen, Michael Engelhard, Martin ZachariasPhysical Chemistry Chemical Physics : PCCP|December 14, 2019
Molecular mechanism of Be2+-ion binding to HLA-DP2: tetrahedral coordination, conformational changes and multi-ion bindingSusmita De, Gopika Sabu, Martin ZachariasThe Journal of Physical Chemistry. B|December 20, 2021
Orientation Dependence of DNA Blunt-End Stacking Studied by Free-Energy SimulationsUlrich Grupa, Korbinian Liebl, Martin ZachariasBiophysical Journal|July 25, 2006
B-DNA under stress: over- and untwisting of DNA during molecular dynamics simulationsSrinivasaraghavan Kannan, Kai Kohlhoff, Martin ZachariasBiopolymers|September 4, 2008
Flexibility of the MHC class II peptide binding cleft in the bound, partially filled, and empty states: a molecular dynamics simulation studyRakina Yaneva, Sebastian Springer, Martin ZachariasProtein Science : a Publication of the Protein Society|January 24, 2007
Comparative molecular dynamics analysis of tapasin-dependent and -independent MHC class I allelesFlorian Sieker, Sebastian Springer, Martin ZachariasBiophysical Journal|October 7, 2009
Elbow flexibility of the kt38 RNA kink-turn motif investigated by free-energy molecular dynamics simulationsJeremy Curuksu, Jiri Sponer, Martin ZachariasProteins|December 24, 2005
Accounting for loop flexibility during protein-protein dockingKarine Bastard, Chantal Prévost, Martin ZachariasCurrent Medicinal Chemistry|February 20, 2010
In silico prediction of binding sites on proteinsSimon Leis, Sebastian Schneider, Martin ZachariasFrontiers in Immunology|December 31, 2025
How conformational changes near the F pocket of MHC class I proteins mediate chaperone assisted peptide loadingSimone Göppert, Sebastian Springer, Martin ZachariasPageof 34