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Journal of Molecular Graphics & Modelling|July 18, 2024
Uncovering substrate specificity determinants of class IIb aminoacyl-tRNA synthetases with machine learningThomas Simonson, Victor Mihaila, Ivan RevegukWiley Interdisciplinary Reviews. Computational Molecular Science|October 31, 2019
Molecular Dynamics Simulations of Macromolecular CrystalsDavid S Cerutti, David A CaseBiopolymers|November 16, 2002
Probing multiple effects on 15N, 13C alpha, 13C beta, and 13C' chemical shifts in peptides using density functional theoryXiao-Ping Xu, David A CaseJournal of Chemical Theory and Computation|November 1, 2011
Multi-Level Ewald: A hybrid multigrid / Fast Fourier Transform approach to the electrostatic particle-mesh problemDavid S Cerutti, David A CaseJournal of Computational Chemistry|August 11, 2006
Second derivatives in generalized Born theoryRussell A Brown, David A CaseBiopolymers|June 21, 2013
Twenty-five years of nucleic acid simulationsThomas E Cheatham, David A CaseBiochemistry|October 28, 2014
Insights into the role of Asp79(2.50) in β2 adrenergic receptor activation from molecular dynamics simulationsAnirudh Ranganathan, Ron O Dror, Jens CarlssonBiopolymers|April 17, 2008
Multiscale modeling of nucleic acids: insights into DNA flexibilityYannick J Bomble, David A CaseBiochemistry|September 18, 2020
Atomistic Simulations of Heme Dissociation Pathways in Human Methemoglobins Reveal Hidden IntermediatesPremila P Samuel, David A CaseCrystals|November 8, 2021
Refinement of RNA Structures Using Amber Force FieldsJonathon G Gray, David A CasePageof 39