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Physical Review Letters|November 5, 2004
Long time molecular dynamics for enhanced conformational sampling in biomolecular systemsP Minary, M E Tuckerman, G J Martyna
Journal of Chemical Theory and Computation|December 3, 2015
Alchemical Variations of Intermolecular Energies According to Molecular Grand-Canonical Ensemble Density Functional TheoryO Anatole von Lilienfeld, M E Tuckerman
The Journal of Chemical Physics|March 11, 2006
Structural properties of liquid N-methylacetamide via ab initio, path integral, and classical molecular dynamicsT W Whitfield, J Crain, G J Martyna
Physical Review Letters|June 18, 2013
Electronically coarse-grained model for waterA Jones, F Cipcigan, V P Sokhan, et al.
Physical Review Letters|September 26, 2015
Molecular-scale remnants of the liquid-gas transition in supercritical polar fluidsV P Sokhan, A Jones, F S Cipcigan, et al.
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