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Andriy Kovalenko

National Research Council Canada

48H指数
251论文数
8.6K被引数
收录论文 84
发表时间
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Substance P analogs devoid of key residues fail to activate human mast cells via MRGPRX2
errFRONTIERS IN IMMUNOLOGY
IF5.9
err2023-05-09
err6
errOAAI
errRaj, Shammy; Hlushak, Stepan; Arizmendi, Narcy; Kovalenko, Andriy; Kulka, Marianna
err分享
err收藏
Evaluating performance of the approximate 3D-RISM-KH molecular solvation theory for solvation free energies in alkanes and alkane-water partition coefficients
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2023-05-01
err1
PREAI
errRoy, Dipankar; Kovalenko, Andriy
err分享
err收藏
Molecular simulations of liquid aliphatic carboxylic acids (C1-C6) using the 3D-RISM-KH molecular solvation theory
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-12-01
err0
PREAI
errRoy, Dipankar; Kovalenko, Andriy
err分享
err收藏
Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation Theory
errMOLECULES
IF4.6
err2022-10-04
err0
errOAAI
errRoy, Dipankar; Kovalenko, Andriy
err分享
err收藏
Computational Investigation of the Metal and Ligand Substitution Effects on the Structure and Electronic States of the Phosphoranimide Tetramer Complexes of Cu(I), Ni(I), Co(I), and Fe(I)
errINORGANIC CHEMISTRY
IF4.7
err2022-01-07
err1
PREAI
errSpillebout, Faustine; Stoyanov, Stanislav R.; Zelyak, Oleksandr; Stryker, Jeffrey M.; Kovalenko, Andriy
err分享
err收藏
A molecular solvation theory simulation of liquid alkyl esters of acetic acid with the 3D Reference Interaction Site Model
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2021-12-01
err3
PREAI
errRoy, Dipankar; Kovalenko, Andriy
err分享
err收藏
A 3D-RISM-KH study of liquid nitromethane, nitroethane, and nitrobenzene as solvents
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2021-06-01
err3
PREAI
errRoy, Dipankar; Kovalenko, Andriy
err分享
err收藏
Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2021-01-04
err6
PREAI
errRoy, Dipankar; Dutta, Devjyoti; Wishart, David S.; Kovalenko, Andriy
err分享
err收藏
Enhanced solvation force extrapolation for speeding up molecular dynamics simulations of complex biochemical liquids
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-12-02
err5
errOAAI
errOmelyan, Igor; Kovalenko, Andriy
err分享
err收藏
Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2019-11-19
err8
PREAI
errHinge, Vijaya Kumar; Roy, Dipankar; Kovalenko, Andriy
err分享
err收藏
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
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2019-11-04
err3
PREAI
errHinge, Vijaya Kumar; Blinov, Nikolay; Roy, Dipankar; Wishart, David S.; Kovalenko, Andriy
err分享
err收藏
Application of the 3D-RISM-KH molecular solvation theory for DMSO as solvent
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2019-10-21
err6
PREAI
errRoy, Dipankar; Kovalenko, Andriy
err分享
err收藏
To Pass or Not To Pass: Predicting the Blood-Brain Barrier Permeability with the 3D-RISM-KH Molecular Solvation Theory
errACS OMEGA
IF4.3
err2019-09-30
err39
errOAAI
errRoy, Dipankar; Hinge, Vijaya Kumar; Kovalenko, Andriy
err分享
err收藏
Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2019-05-13
err5
PREAI
errHinge, Vijaya Kumar; Roy, Dipankar; Kovalenko, Andriy
err分享
err收藏
Tryptophan 32 mediates SOD1 toxicity in a in vivo motor neuron model of ALS and is a promising target for small molecule therapeutics
errNEUROBIOLOGY OF DISEASE
IF5.6
err2019-04-01
err28
PREAI
errDuVal, Michele G.; Hinge, Vijaya K.; Snyder, Natalie; Kanyo, Richard; Bratvold, Jenna; Pokrishevsky, Edward; Cashman, Neil R.; Blinov, Nikolay; Kovalenko, Andriy; Allison, W. Ted
err分享
err收藏
Predicting Blood-Brain Partitioning of Small Molecules Using a Novel Minimalistic Descriptor-Based Approach via the 3D-RISM-KH Molecular Solvation Theory
errACS OMEGA
IF4.3
err2019-02-12
err12
errOAAI
errRoy, Dipankar; Hinge, Vijaya Kumar; Kovalenko, Andriy
err分享
err收藏
Computational and Experimental Investigations of the Role of Water and Alcohols in the Desorption of Heterocyclic Aromatic Compounds from Kaolinite in Toluene
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2018-04-19
err4
PREAI
errLage, Mateus R.; Dedzo, Gustave K.; Stoyanov, Stanislav R.; Huang, WenJuan; Gusarov, Sergey; Carneiro, Jose Walkimar de M.; Detellier, Christian; Kovalenko, Andriy
err分享
err收藏
Initial Structural Models of the Aβ42 Dimer from Replica Exchange Molecular Dynamics Simulations
errACS OMEGA
IF4.3
err2017-11-07
err15
errOAAI
errBlinov, Nikolay; Khorvash, Massih; Wishart, David S.; Cashman, Neil R.; Kovalenko, Andriy
err分享
err收藏
Effective Interactions and Adsorption of Heterocyclic Aromatic Hydrocarbons in Kaolinite Organic Solutions Studied by 3D-RISM-KH Molecular Theory of Solvation
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2017-09-29
err6
errOAAI
errHlushak, Stepan; Kovalenko, Andriy
err分享
err收藏
A 3D-RISM-KH Molecular Theory of Solvation Study of the Effective Stacking Interactions of Kaolinite Nanoparticles in Aqueous Electrolyte Solution Containing Additives
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2016-09-12
err6
PREAI
errHlushak, Stepan; Stoyanov, Stanislav R.; Kovalenko, Andriy
err分享
err收藏

研究方向

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合作学者
合作期刊
D
David S. Wishart
H 指数: 140 · 论文数: 830
D
David A. Case
H 指数: 107 · 论文数: 518
T
Tom Ziegler
H 指数: 95 · 论文数: 682
R
Richard L. McCreery
H 指数: 79 · 论文数: 326
D
Douglas Henderson
H 指数: 72 · 论文数: 668
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