Showing results (1-10 of 91) with videos related to
Sort By:
Pageof 10
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 KovalenkoMolecules (Basel, Switzerland)|October 14, 2022
Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation TheoryDipankar Roy, Andriy KovalenkoJournal of Chemical Theory and Computation|November 27, 2015
Spatial Decomposition Analysis of the Thermodynamics of Cyclodextrin ComplexationTakeshi Yamazaki, Andriy KovalenkoInternational Journal of Molecular Sciences|June 2, 2021
Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation TheoryDipankar Roy, Andriy KovalenkoJournal of Molecular Modeling|January 12, 2022
Response to Comment on "Density Functional Theory and 3D-RISM-KH molecular theory of solvation studies of CO2 reduction on Cu-, Cu2O-, Fe-, and Fe3O4-based nanocatalysts"Andriy Kovalenko, Vladimir NeburchilovThe Journal of Chemical Physics|August 31, 2004
Molecular description of the collapse of hydrophobic polymer chains in waterLucian Livadaru, Andriy KovalenkoPageof 10