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Journal of Chemical Information and Modeling|March 12, 2010
SIML: a fast SIMD algorithm for calculating LINGO chemical similarities on GPUs and CPUsImran S Haque, Vijay S Pande, W Patrick WaltersJournal of Chemical Theory and Computation|November 26, 2015
Polarizable Atomic Multipole X-Ray Refinement: Particle Mesh Ewald Electrostatics for Macromolecular CrystalsMichael J Schnieders, Timothy D Fenn, Vijay S PandeJournal of the American Chemical Society|July 30, 2009
Combining molecular dynamics with bayesian analysis to predict and evaluate ligand-binding mutations in influenza hemagglutininPeter M Kasson, Daniel L Ensign, Vijay S PandeBiophysical Journal|April 18, 2006
Kinetic definition of protein folding transition state ensembles and reaction coordinatesChristopher D Snow, Young Min Rhee, Vijay S PandeCurrent Opinion in Structural Biology|November 18, 2010
Taming the complexity of protein foldingGregory R Bowman, Vincent A Voelz, Vijay S PandeJournal of Chemical Theory and Computation|April 30, 2013
Enhanced modeling via network theory: Adaptive sampling of Markov state modelsGregory R Bowman, Daniel L Ensign, Vijay S PandeJournal of the American Chemical Society|November 29, 2013
Chemical kinetics and mechanisms of complex systems: a perspective on recent theoretical advancesStephen J Klippenstein, Vijay S Pande, Donald G TruhlarPharmaceutical Development and Technology|April 9, 1998
Comparison of the performance of two sample thieves for the determination of the content uniformity of a powder blendT P Garcia, M K Taylor, G S PandeMolecular and Cellular Biology|January 1, 1995
Pulling the ribosome out of frame by +1 at a programmed frameshift site by cognate binding of aminoacyl-tRNAS Pande, A Vimaladithan, H Zhao, et al.Journal of the American Chemical Society|April 2, 2013
Emergence of glass-like behavior in Markov state models of protein folding dynamicsJeffrey K Weber, Robert L Jack, Vijay S PandePageof 39