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Journal of Molecular Biology|April 9, 2008
Tet repressor induction by tetracycline: a molecular dynamics, continuum electrostatics, and crystallographic studyAlexey Aleksandrov, Linda Schuldt, Winfried Hinrichs, et al.Journal of Computational Chemistry|October 29, 2009
Computational design of protein-ligand binding: modifying the specificity of asparaginyl-tRNA synthetaseAnne Lopes, Marcel Schmidt Am Busch, Thomas SimonsonProteins|May 2, 2009
Computational protein design as a tool for fold recognitionMarcel Schmidt am Busch, David Mignon, Thomas SimonsonJournal of Computational Chemistry|October 28, 2015
Protein:Ligand binding free energies: A stringent test for computational protein designKaren Druart, Zoltan Palmai, Eyaz Omarjee, et al.Frontiers in Molecular Biosciences|May 13, 2022
A Computational Model for the PLP-Dependent Enzyme Methionine γ-LyaseXingyu Chen, Pierre Briozzo, David Machover, et al.Chemical Science|June 24, 2021
Ligand design by targeting a binding site waterPierre Matricon, R Rama Suresh, Zhan-Guo Gao, et al.The Journal of Physical Chemistry. A|July 4, 2018
Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg2Francesco Villa, Alexander D MacKerell, Benoît Roux, et al.Critical Care (London, England)|February 13, 2015
Iron is essential for living!Sigismond Lasocki, Thomas Gaillard, Emmanuel RineauJournal of Molecular Graphics & Modelling|December 13, 2016
Probing the stereospecificity of tyrosyl- and glutaminyl-tRNA synthetase with molecular dynamicsKaren Druart, Maeva Le Guennec, Zoltan Palmai, et al.Frontiers in Molecular Biosciences|January 26, 2023
Computational protein design repurposed to explore enzyme vitality and help predict antibiotic resistanceEleni Michael, Rémy Saint-Jalme, David Mignon, et al.Pageof 16