| Lead finder: an approach to improve accuracy of protein− ligand docking, binding energy estimation, and virtual screening OV Stroganov, FN Novikov, VS Stroylov, V Kulkov, GG Chilov Journal of Chemical Information and Modeling 48 (12), 2371-2385, 2008 | 223 | 2008 |
| PF-114, a potent and selective inhibitor of native and mutated BCR/ABL is active against Philadelphia chromosome-positive (Ph+) leukemias harboring the T315I mutation AA Mian, A Rafiei, I Haberbosch, A Zeifman, I Titov, V Stroylov, ... Leukemia 29 (5), 1104-1114, 2015 | 64 | 2015 |
| Quantifying Possible Routes for SpnF-Catalyzed Formal Diels–Alder Cycloaddition MG Medvedev, AA Zeifman, FN Novikov, IS Bushmarinov, OV Stroganov, ... Journal of the American Chemical Society 139 (11), 3942-3945, 2017 | 44 | 2017 |
| Lead Finder docking and virtual screening evaluation with Astex and DUD test sets FN Novikov, VS Stroylov, AA Zeifman, OV Stroganov, V Kulkov, GG Chilov Journal of computer-aided molecular design 26, 725-735, 2012 | 41 | 2012 |
| TSAR, a new graph–theoretical approach to computational modeling of protein side‐chain flexibility: Modeling of ionization properties of proteins OV Stroganov, FN Novikov, AA Zeifman, VS Stroylov, GG Chilov Proteins: Structure, Function, and Bioinformatics 79 (9), 2693-2710, 2011 | 35 | 2011 |
| CSAR scoring challenge reveals the need for new concepts in estimating protein–ligand binding affinity FN Novikov, AA Zeifman, OV Stroganov, VS Stroylov, V Kulkov, GG Chilov Journal of chemical information and modeling 51 (9), 2090-2096, 2011 | 32 | 2011 |
| Exhaustive conformational search for transition states: the case of catechol O-methyltransferase active site MG Medvedev, MV Panova, GG Chilov, IS Bushmarinov, FN Novikov, ... Mendeleev Communications 27 (3), 224-227, 2017 | 24 | 2017 |
| Improving performance of docking-based virtual screening by structural filtration FN Novikov, VS Stroylov, OV Stroganov, GG Chilov Journal of molecular modeling 16, 1223-1230, 2010 | 23 | 2010 |
| Developing novel approaches to improve binding energy estimation and virtual screening: a PARP case study FN Novikov, VS Stroylov, OV Stroganov, V Kulkov, GG Chilov Journal of molecular modeling 15, 1337-1347, 2009 | 23 | 2009 |
| NCATS Inxight Drugs: a comprehensive and curated portal for translational research VB Siramshetty, I Grishagin, ÐT Nguyễn, T Peryea, Y Skovpen, ... Nucleic acids research 50 (D1), D1307-D1316, 2022 | 21 | 2022 |
| Rational design and synthesis of new PARP1 inhibitors LV Romashov, AA Zeifman, AL Zakharenko, FN Novikov, VS Stroilov, ... Mendeleev Communications 22 (1), 15-17, 2012 | 18 | 2012 |
| Molecular modeling of different substrate‐binding modes and their role in penicillin acylase catalysis FN Novikov, OV Stroganov, IG Khaliullin, NV Panin, IV Shapovalova, ... The FEBS journal 280 (1), 115-126, 2013 | 17 | 2013 |
| Alchemical FEP calculations of ligand conformer focusing in explicit solvent AA Zeifman, VV Stroylov, FN Novikov, OV Stroganov, V Kulkov, GG Chilov Journal of chemical theory and computation 9 (2), 1093-1102, 2013 | 15 | 2013 |
| Novel fragment-like inhibitors of EphA2 obtained by experimental screening and modelling VS Stroylov, TV Rakitina, FN Novikov, OV Stroganov, GG Chilova, ... Mendeleev Communications 20 (5), 263-265, 2010 | 15 | 2010 |
| The role of human in the loop: Lessons from D3R challenge 4 OV Stroganov, FN Novikov, MG Medvedev, AO Dmitrienko, I Gerasimov, ... Journal of Computer-Aided Molecular Design 34, 121-130, 2020 | 13 | 2020 |
| Rational design and synthesis of novel Syk-kinase inhibitors AA Zeifman, IY Titov, IV Svitanko, TV Rakitina, AV Lipkin, VS Stroylov, ... Mendeleev Communications 2 (22), 73-74, 2012 | 13 | 2012 |
| Force field parametrization for 6-aminopenicillanic acid OV Stroganov, GG Chilov, VK Švedas Journal of Molecular Structure: THEOCHEM 631 (1-3), 117-125, 2003 | 10 | 2003 |
| Inhibition of SYK and cSrc kinases can protect bone and cartilage in preclinical models of osteoarthritis and rheumatoid arthritis FN Novikov, MV Panova, IY Titov, VS Stroylov, OV Stroganov, GG Chilov Scientific Reports 11 (1), 23120, 2021 | 9 | 2021 |
| Synthesis of an allosteric modulator of ionotropic glutamate receptors MI Lavrov, OV Stroganov, VL Zamoyski, VV Grigoriev, ME Zapolskiy, ... Mendeleev Communications 30 (2), 156-158, 2020 | 9 | 2020 |
| An explicit account of solvation is essential for modeling Suzuki–Miyaura coupling in protic solvents AA Zeifman, FN Novikov, VS Stroylov, OV Stroganov, IV Svitanko, ... Dalton Transactions 44 (40), 17795-17799, 2015 | 9 | 2015 |
