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 | 226 | 2008 |
Lung fibrosis after COVID-19: treatment prospects E Bazdyrev, P Rusina, M Panova, F Novikov, I Grishagin, V Nebolsin Pharmaceuticals 14 (8), 807, 2021 | 167 | 2021 |
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 |
Molecular docking: theoretical background, practical applications and perspectives FN Novikov, GG Chilov Mendeleev Communications 5 (19), 237-242, 2009 | 42 | 2009 |
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 |
Novel curcumin derivatives as P-glycoprotein inhibitors: Molecular modeling, synthesis and sensitization of multidrug resistant cells to doxorubicin M Sagnou, FN Novikov, ES Ivanova, P Alexiou, VS Stroylov, IY Titov, ... European Journal of Medicinal Chemistry 198, 112331, 2020 | 39 | 2020 |
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 | 25 | 2017 |
Molecular basis of COVID-19 pathogenesis FN Novikov, VS Stroylov, IV Svitanko, VE Nebolsin Russian Chemical Reviews 89 (8), 858, 2020 | 23 | 2020 |
PF‑114, a novel selective inhibitor of BCR‑ABL tyrosine kinase, is a potent inducer of apoptosis in chronic myelogenous leukemia cells ES Ivanova, VV Tatarskiy, MA Yastrebova, AI Khamidullina, AV Shunaev, ... International Journal of Oncology 55 (1), 289-297, 2019 | 23 | 2019 |
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 |
PF-114: a 4th generation tyrosine kinase-inhibitor for chronic phase chronic myeloid leukaemia including BCRABL1T315I AG Turkina, O Vinogradova, E Lomaia, E Shatokhina, OA Shukhov, ... Blood 134, 1638, 2019 | 19 | 2019 |
Novel Antitumor L‐Arabinose Derivative of Indolocarbazole with High Affinity to DNA DN Kaluzhny, VV Tatarskiy Jr, LG Dezhenkova, IL Plikhtyak, TD Miniker, ... ChemMedChem: Chemistry Enabling Drug Discovery 4 (10), 1641-1648, 2009 | 19 | 2009 |
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 |
Phase-1 study of PF-114 mesylate in CML failing prior tyrosine kinase-inhibitor therapy AG Turkina, O Vinogradova, E Lomaia, E Shatokhina, O Shukhov, ... Blood 132, 790, 2018 | 17 | 2018 |
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 |