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Nature Communications|March 11, 2020
Diffuse X-ray scattering from correlated motions in a protein crystalSteve P Meisburger, David A Case, Nozomi Ando
Nature Communications|March 3, 2023
Robust total X-ray scattering workflow to study correlated motion of proteins in crystalsSteve P Meisburger, David A Case, Nozomi Ando
Plos Computational Biology|March 14, 2020
Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticityMariama Jaiteh, Ismael Rodríguez-Espigares, Jana Selent, 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 Simonson
Proteins|May 2, 2009
Computational protein design as a tool for fold recognitionMarcel Schmidt am Busch, David Mignon, Thomas Simonson
Journal 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 <i>γ</i>-LyaseXingyu Chen, Pierre Briozzo, David Machover, et al.
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