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The Journal of Physical Chemistry. B|November 17, 2010
Enhanced conformational sampling of peptides via reduced side-chain and solvent massesI-Chun Lin, Mark E TuckermanThe Annals of Pharmacotherapy|May 30, 2003
Ezetimibe for management of hypercholesterolemiaVincent F Mauro, Chad E TuckermanJournal of Chemical Theory and Computation|November 24, 2015
Alchemical Free Energy Differences in Flexible Molecules from Thermodynamic Integration or Free Energy Perturbation Combined with Driven Adiabatic DynamicsMichel A Cuendet, Mark E TuckermanJournal of Chemical Theory and Computation|April 13, 2023
Geometric Deep Learning for Molecular Crystal Structure PredictionMichael Kilgour, Jutta Rogal, Mark TuckermanThe Journal of Chemical Physics|January 15, 2018
Molecular dynamics based enhanced sampling of collective variables with very large time stepsPei-Yang Chen, Mark E TuckermanThe Journal of Chemical Physics|May 5, 2007
Dynamical properties of liquid water from ab initio molecular dynamics performed in the complete basis set limitHee-Seung Lee, Mark E TuckermanJournal of Chemical Theory and Computation|April 8, 2016
A Stochastic, Resonance-Free Multiple Time-Step Algorithm for Polarizable Models That Permits Very Large Time StepsDaniel T Margul, Mark E TuckermanThe Journal of Physical Chemistry. B|April 16, 2009
Efficient and direct generation of multidimensional free energy surfaces via adiabatic dynamics without coordinate transformationsJerry B Abrams, Mark E TuckermanThe Journal of Physical Chemistry. A|February 7, 2009
Ab initio molecular dynamics studies of the liquid-vapor interface of an HCl solutionHee-Seung Lee, Mark E TuckermanThe Journal of Physical Chemistry. A|April 21, 2006
Ab initio molecular dynamics with discrete variable representation basis sets: techniques and application to liquid waterHee-Seung Lee, Mark E TuckermanPageof 4,892