Andriy Kovalenko
Andriy Kovalenko
Adjunct Professor Department of Mechanical Engineering University of Alberta
Verified email at ualberta.ca
Title
Cited by
Cited by
Year
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
61762008
AMBER 2015
DA Case, J Berryman, RM Betz, DS Cerutti, TE Cheatham Iii, TA Darden, ...
University of California, 2015
20702015
Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model
A Kovalenko, F Hirata
The Journal of chemical physics 110 (20), 10095-10112, 1999
5821999
Three-dimensional density profiles of water in contact with a solute of arbitrary shape: a RISM approach
A Kovalenko, F Hirata
Chemical Physics Letters 290 (1-3), 237-244, 1998
3901998
AMBER 14; University of California: San Francisco, 2014
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...
Google Scholar There is no corresponding record for this reference, 1-826, 0
341*
Potentials of mean force of simple ions in ambient aqueous solution. I. Three-dimensional reference interaction site model approach
A Kovalenko, F Hirata
The Journal of Chemical Physics 112 (23), 10391-10402, 2000
2842000
ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
URL: http://www. scm. com, 2014
2702014
Solution of three‐dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative …
A Kovalenko, S Ten‐no, F Hirata
Journal of Computational Chemistry 20 (9), 928-936, 1999
2321999
SCM, theoretical chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
ADF2012 1, 2013
2152013
Three-dimensional molecular theory of solvation coupled with molecular dynamics in Amber
T Luchko, S Gusarov, DR Roe, C Simmerling, DA Case, J Tuszynski, ...
Journal of chemical theory and computation 6 (3), 607-624, 2010
2102010
Coarse-grained molecular simulation of diffusion and reaction kinetics in a crowded virtual cytoplasm
D Ridgway, G Broderick, A Lopez-Campistrous, M Ru’aini, P Winter, ...
Biophysical journal 94 (10), 3748-3759, 2008
1862008
Diazonium-derived aryl films on gold nanoparticles: Evidence for a carbon–gold covalent bond
L Laurentius, SR Stoyanov, S Gusarov, A Kovalenko, R Du, GP Lopinski, ...
ACS nano 5 (5), 4219-4227, 2011
1802011
Molecular basis for water-promoted supramolecular chirality inversion in helical rosette nanotubes
RS Johnson, T Yamazaki, A Kovalenko, H Fenniri
Journal of the American Chemical Society 129 (17), 5735-5743, 2007
1782007
Potential of mean force between two molecular ions in a polar molecular solvent: A study by the three-dimensional reference interaction site model
A Kovalenko, F Hirata
The Journal of Physical Chemistry B 103 (37), 7942-7957, 1999
1741999
Hydration free energy of hydrophobic solutes studied by a reference interaction site model with a repulsive bridge correction and a thermodynamic perturbation method
A Kovalenko, F Hirata
The Journal of Chemical Physics 113 (7), 2793-2805, 2000
1662000
The FF14SB force field
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...
Amber 14, 29-31, 2014
1582014
Helical rosette nanotubes with tunable stability and hierarchy
JG Moralez, J Raez, T Yamazaki, RK Motkuri, A Kovalenko, H Fenniri
Journal of the American Chemical Society 127 (23), 8307-8309, 2005
1562005
Potentials of mean force of simple ions in ambient aqueous solution. II. Solvation structure from the three-dimensional reference interaction site model approach, and …
A Kovalenko, F Hirata
The Journal of Chemical Physics 112 (23), 10403-10417, 2000
1482000
Water molecules in a protein cavity detected by a statistical− mechanical theory
T Imai, R Hiraoka, A Kovalenko, F Hirata
Journal of the American Chemical Society 127 (44), 15334-15335, 2005
1462005
Structure of tert-Butyl Alcohol−Water Mixtures Studied by the RISM Theory
K Yoshida, T Yamaguchi, A Kovalenko, F Hirata
The Journal of Physical Chemistry B 106 (19), 5042-5049, 2002
1382002
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