| Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ... Journal of computer-aided molecular design 25, 533-554, 2011 | 623 | 2011 |
| Nitrogen containing heterocycles as anticancer agents: a medicinal chemistry perspective A Kumar, AK Singh, H Singh, V Vijayan, D Kumar, J Naik, S Thareja, ... Pharmaceuticals 16 (2), 299, 2023 | 82 | 2023 |
| A new paradigm for pattern recognition of drugs VA Potemkin, MA Grishina Journal of Computer-Aided Molecular Design 22, 489-505, 2008 | 81 | 2008 |
| Principles for 3D/4D QSAR classification of drugs V Potemkin, M Grishina Drug discovery today 13 (21-22), 952-959, 2008 | 79 | 2008 |
| Concept of hybrid drugs and recent advancements in anticancer hybrids AK Singh, A Kumar, H Singh, P Sonawane, H Paliwal, S Thareja, ... Pharmaceuticals 15 (9), 1071, 2022 | 69 | 2022 |
| Technique for energy decomposition in the study of “receptor-ligand” complexes VA Potemkin, AA Pogrebnoy, MA Grishina Journal of chemical information and modeling 49 (6), 1389-1406, 2009 | 69 | 2009 |
| Internet resources for drug discovery and design V Potemkin, A Potemkin, M Grishina Current Topics in Medicinal Chemistry 18 (22), 1955-1975, 2018 | 44 | 2018 |
| Ag nanoparticles synthesized by Datura metel L. Leaf extract and their charge density distribution, electrochemical and biological performance K Chinnaiah, R Krishnamoorthi, K Kannan, D Sivaganesh, ... Chemical Physics Letters 807, 140083, 2022 | 40 | 2022 |
| A method for multiconformational modeling of the three‐dimensional shape of a molecule EV Bartashevich, VA Potemkin, MA Grishina, AV Belik Journal of Structural Chemistry 43, 1033-1039, 2002 | 38 | 2002 |
| Adsorption of Native Amino Acids on Nanocrystalline TiO2: Physical Chemistry, QSPR, and Theoretical Modeling A Shchelokov, N Palko, V Potemkin, M Grishina, R Morozov, E Korina, ... Langmuir 35 (2), 538-550, 2018 | 35 | 2018 |
| Grid-based continual analysis of molecular interior for drug discovery, QSAR and QSPR AV Potemkin, MA Grishina, VA Potemkin Current Drug Discovery Technologies 14 (3), 181-205, 2017 | 35 | 2017 |
| Mutations in fd phage major coat protein modulate affinity of the displayed peptide GA Kuzmicheva, PK Jayanna, AM Eroshkin, MA Grishina, ... Protein Engineering, Design & Selection 22 (10), 631-639, 2009 | 33 | 2009 |
| Grid-based technologies for in silico screening and drug design V Potemkin, M Grishina Current Medicinal Chemistry 25 (29), 3526-3537, 2018 | 31 | 2018 |
| Experimental and Theoretical Studies of Green Synthesized Cu2O Nanoparticles Using Datura Metel L K Chinnaiah, V Maik, K Kannan, V Potemkin, M Grishina, M Gohulkumar, ... Journal of Fluorescence, 1-10, 2022 | 28 | 2022 |
| Antiplasmodial activity of hydroxyethylamine analogs: synthesis, biological activity and structure activity relationship of plasmepsin inhibitors AK Singh, V Rajendran, S Singh, P Kumar, Y Kumar, A Singh, W Miller, ... Bioorganic & medicinal chemistry 26 (13), 3837-3844, 2018 | 28 | 2018 |
| Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking J Novak, H Rimac, S Kandagalla, P Pathak, V Naumovich, M Grishina, ... Journal of Biomolecular Structure and Dynamics 40 (19), 9347-9360, 2022 | 26 | 2022 |
| Metal Complexes in cancer treatment: Journey so far A Kumar Singh, A Kumar, H Singh, P Sonawane, P Pathak, M Grishina, ... Chemistry & biodiversity 20 (4), e202300061, 2023 | 25 | 2023 |
| Investigation of the newly characterized baimantuoluoamide a and baimantuoluoamide b alkaloids as potential cyclin-dependent kinase 4 (CDK4) inhibitors using molecular docking … K Gurushankar, H Rimac, V Potemkin, M Grishina Journal of Molecular Structure 1230, 129925, 2021 | 25 | 2021 |
| Theoretical investigation of electron structure and surface morphology of titanium dioxide anatase nano-particles M Grishina, O Bolshakov, A Potemkin, V Potemkin Computational and Theoretical Chemistry 1091, 122-136, 2016 | 25 | 2016 |
| Theoretical Investigation of the Antituberculous Activity of Membranotropic Podands. VA Potemkin, MA Grishina, OV Fedorova, GL Rusinov, IG Ovchinnikova, ... Pharmaceutical Chemistry Journal 37 (9), 2003 | 25 | 2003 |
