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Andriy Kovalenko

Showing results (11-20 of 91) with videos related to

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The Journal of Chemical Physics|December 12, 2019
Enhanced solvation force extrapolation for speeding up molecular dynamics simulations of complex biochemical liquidsIgor Omelyan, Andriy Kovalenko
Physical Chemistry Chemical Physics : PCCP|October 1, 2009
A molecular theory of liquid interfacesAndriy Kovalenko, Fumio Hirata
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 Kovalenko
The Journal of Physical Chemistry. A|April 18, 2019
Performance of 3D-RISM-KH in Predicting Hydration Free Energy: Effect of Solute ParametersDipankar Roy, Andriy Kovalenko
Journal of Computer-Aided Molecular Design|October 23, 2019
Application of the 3D-RISM-KH molecular solvation theory for DMSO as solventDipankar Roy, Andriy Kovalenko
The Journal of Physical Chemistry. B|December 21, 2010
Spatial decomposition of solvation free energy based on the 3D integral equation theory of molecular liquid: application to miniproteinsTakeshi Yamazaki, Andriy Kovalenko
The Journal of Physical Chemistry. B|July 21, 2006
Self-consistent molecular theory of polymers in melts and solutionsLucian Livadaru, Andriy Kovalenko
The Journal of Physical Chemistry. B|May 12, 2020
Application of the Approximate 3D-Reference Interaction Site Model (RISM) Molecular Solvation Theory to Acetonitrile as SolventDipankar Roy, Andriy Kovalenko
Journal of Molecular Modeling|September 12, 2020
Density functional theory and 3D-RISM-KH molecular theory of solvation studies of CO<sub>2</sub> reduction on Cu-, Cu<sub>2</sub>O-, Fe-, and Fe<sub>3</sub>O<sub>4</sub>-based nanocatalystsAndriy Kovalenko, Vladimir Neburchilov
The Journal of Chemical Physics|December 24, 2011
Multiple time scale molecular dynamics for fluids with orientational degrees of freedom. II. Canonical and isokinetic ensemblesIgor P Omelyan, Andriy Kovalenko
Pageof 10

Showing results (11-20 of 91) with videos related to

Sort By:
Pageof 10
The Journal of Chemical Physics|December 12, 2019
Enhanced solvation force extrapolation for speeding up molecular dynamics simulations of complex biochemical liquidsIgor Omelyan, Andriy Kovalenko
Physical Chemistry Chemical Physics : PCCP|October 1, 2009
A molecular theory of liquid interfacesAndriy Kovalenko, Fumio Hirata
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 Kovalenko
The Journal of Physical Chemistry. A|April 18, 2019
Performance of 3D-RISM-KH in Predicting Hydration Free Energy: Effect of Solute ParametersDipankar Roy, Andriy Kovalenko
Journal of Computer-Aided Molecular Design|October 23, 2019
Application of the 3D-RISM-KH molecular solvation theory for DMSO as solventDipankar Roy, Andriy Kovalenko
The Journal of Physical Chemistry. B|December 21, 2010
Spatial decomposition of solvation free energy based on the 3D integral equation theory of molecular liquid: application to miniproteinsTakeshi Yamazaki, Andriy Kovalenko
The Journal of Physical Chemistry. B|July 21, 2006
Self-consistent molecular theory of polymers in melts and solutionsLucian Livadaru, Andriy Kovalenko
The Journal of Physical Chemistry. B|May 12, 2020
Application of the Approximate 3D-Reference Interaction Site Model (RISM) Molecular Solvation Theory to Acetonitrile as SolventDipankar Roy, Andriy Kovalenko
Journal of Molecular Modeling|September 12, 2020
Density functional theory and 3D-RISM-KH molecular theory of solvation studies of CO<sub>2</sub> reduction on Cu-, Cu<sub>2</sub>O-, Fe-, and Fe<sub>3</sub>O<sub>4</sub>-based nanocatalystsAndriy Kovalenko, Vladimir Neburchilov
The Journal of Chemical Physics|December 24, 2011
Multiple time scale molecular dynamics for fluids with orientational degrees of freedom. II. Canonical and isokinetic ensemblesIgor P Omelyan, Andriy Kovalenko
Pageof 10