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The Journal of Chemical Physics|August 11, 2020
Hybrid MC/MD for protein designEleni Michael, Savvas Polydorides, Thomas Simonson, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 23, 2014
Structure and thermodynamics of Mg:phosphate interactions in water: a simulation studyManjeet Kumar, Thomas Simonson, Gilles Ohanessian, et al.Journal of Computational Chemistry|August 9, 2017
Simple models for nonpolar solvation: Parameterization and testingEleni Michael, Savvas Polydorides, Thomas Simonson, et al.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.The FEBS Journal|June 5, 2007
Structural and functional consequences of single amino acid substitutions in the pyrimidine base binding pocket of Escherichia coli CMP kinaseAugustin Ofiteru, Nadia Bucurenci, Emil Alexov, et al.Acta Crystallographica. Section F, Structural Biology and Crystallization Communications|February 9, 2008
Purification, crystallization and preliminary crystallographic study of a recombinant plant aminoaldehyde dehydrogenase from Pisum sativumMartina Tylichová, Pierre Briozzo, David Kopecný, 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.Pageof 78