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ORCIDAndriy Kovalenko 0001
Person information
- affiliation: University of Alberta, Department of Mechanical Engineering, Edmonton, Canada
Other persons with the same name
- Andriy Kovalenko 0002
![[0000-0002-2817-9036]](https://dblp.uni-trier.de./img/orcid-mark.12x12.png "0000-0002-2817-9036")
— Kharkiv National University of Radio Electronics, Kharkov, Ukraine
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2020 – today
- 2021
[j10]Dipankar Roy, Devjyoti Dutta, David S. Wishart, Andriy Kovalenko:
Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet? J. Comput. Aided Mol. Des. 35(2): 261-269 (2021)
2010 – 2019
- 2019
- [j9]Vijaya Kumar Hinge, Dipankar Roy, Andriy Kovalenko:
Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds. J. Comput. Aided Mol. Des. 33(6): 605-611 (2019) - [j8]Dipankar Roy, Andriy Kovalenko:
Application of the 3D-RISM-KH molecular solvation theory for DMSO as solvent. J. Comput. Aided Mol. Des. 33(10): 905-912 (2019) - [j7]Vijaya Kumar Hinge, Nikolay Blinov, Dipankar Roy, David S. Wishart, Andriy Kovalenko:
The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations. J. Comput. Aided Mol. Des. 33(10): 913-926 (2019) - [j6]Vijaya Kumar Hinge, Dipankar Roy, Andriy Kovalenko:
Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors. J. Comput. Aided Mol. Des. 33(11): 965-971 (2019) - 2016
- [j5]Tyler Luchko, Nikolay Blinov, Garrett C. Limon, Kevin P. Joyce, Andriy Kovalenko:
SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling. J. Comput. Aided Mol. Des. 30(11): 1115-1127 (2016) - 2015
- [j4]Wenjuan Huang, Nikolay Blinov, David S. Wishart, Andriy Kovalenko:
Role of Water in Ligand Binding to Maltose-Binding Protein: Insight from a New Docking Protocol Based on the 3D-RISM-KH Molecular Theory of Solvation. J. Chem. Inf. Model. 55(2): 317-328 (2015) - 2012
- [j3]Sergey Gusarov, Bhalchandra S. Pujari, Andriy Kovalenko:
Efficient treatment of solvation shells in 3D molecular theory of solvation. J. Comput. Chem. 33(17): 1478-1494 (2012) - 2011
- [c9]X. Liu, O. Lyubimova, A. E. Kobryn, Sergey Gusarov, Andriy Kovalenko:
Mesoscopic study of dynamics and gelation ability of oligomeric electrolyte gelator with dissipative particle dynamics. ICCS 2011: 1031-1038 - [c8]O. Lyubimova, X. Liu, Sergey Gusarov, A. E. Kobryn, Andriy Kovalenko:
Solvation structure and gelation ability of polyelectrolytes: predictions by quantum chemistry methods and integral equation theory of molecular liquids. ICCS 2011: 1186-1192
2000 – 2009
- 2008
- [j2]Jiao Zhao, Douglas Ridgway, Gordon Broderick, Andriy Kovalenko, Michael J. Ellison:
Extraction of elementary rate constants from global network analysis of E. coli central metabolism. BMC Syst. Biol. 2: 41 (2008) - [c7]Qingbin Li, Sergey Gusarov, Andriy Kovalenko:
Molecular Dynamics Study of Streptavidin Binding to Surface-Immobilized Biotin. ISCSCT (2) 2008: 767-770 - 2005
- [c6]Andriy Kovalenko:
Microscopic Theory of Liquid Interfaces in Molecular Systems. ICMENS 2005: 209-213 - [c5]Takeshi Yamazaki, Andriy Kovalenko:
Theoretical Study of Pressure and Cosolvent Effects on the Solvation Structure of Staphylococcal Nuclease. ICMENS 2005: 214-215 - [c4]Fuqiang Ban, Savariraj Kingsley, Ross Johnson, Hicham Fenniri, Andriy Kovalenko:
Modeling the Zinc Chelating Rosette Nanotube. ICMENS 2005: 379-382 - [c3]Lucian Livadaru, Andriy Kovalenko:
A Self-Consistent Theory of Polymer Solvation. ICMENS 2005: 400-401 - [c2]Piotr Drabik, Andriy Kovalenko:
Microtubule Stability Studied by Integral Equation Theory. ICMENS 2005: 406-407 - 2004
- [c1]Andriy Kovalenko:
Molecular Modeling of Biomolecules and Solutions in Nanoporous Materials. ICMENS 2004: 166-171
1990 – 1999
- 1999
- [j1]Andriy Kovalenko, Seiichiro Ten-no, Fumio Hirata:
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 subspace. J. Comput. Chem. 20(9): 928-936 (1999)
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