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Journal of Chemical Theory and Computation|November 18, 2015
MTS-MD of Biomolecules Steered with 3D-RISM-KH Mean Solvation Forces Accelerated with Generalized Solvation Force ExtrapolationIgor Omelyan, Andriy KovalenkoPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|April 3, 2012
Interpretation of atomic motion in flexible molecules: accelerating molecular dynamics simulationsIgor Omelyan, Andriy KovalenkoThe Journal of Chemical Physics|January 7, 2014
Multiple time step molecular dynamics in the optimized isokinetic ensemble steered with the molecular theory of solvation: accelerating with advanced extrapolation of effective solvation forcesIgor Omelyan, Andriy KovalenkoThe Journal of Chemical Physics|December 12, 2019
Enhanced solvation force extrapolation for speeding up molecular dynamics simulations of complex biochemical liquidsIgor Omelyan, Andriy KovalenkoPhysical Chemistry Chemical Physics : PCCP|February 14, 2006
Criticality of a liquid-vapor interface from an inhomogeneous integral equation theoryIgor Omelyan, Fumio Hirata, Andriy KovalenkoPageof 1