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Andriy Kovalenko
Andriy Kovalenko
Adjunct Professor Department of Mechanical Engineering University of Alberta
Verified email at ualberta.ca
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Cited by
Cited by
Year
Amber 2021
DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California, San Francisco, 2021
52192021
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
7381999
AMBER11. University of California, San Francisco
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
Google Scholar There is no corresponding record for this reference, 2010
555*2010
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
4851998
ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014
4632014
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
3292000
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
2902010
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
2791999
AMBER 2018, University of California, San Francisco, 2018
DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ...
Google Scholar There is no corresponding record for this reference, 2015
2652015
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
2452011
The FF14SB force field
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...
Amber 14, 29-31, 2014
2442014
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
2221999
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
2192008
ADF2017, SCM, Theoretical Chemistry
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
Vrije Universiteit, 2017
2142017
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
2102007
ADF2017
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
SCM, Theoretical Chemistry, 2017
1972017
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
1972000
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
1832005
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
1772005
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
1702000
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