| Direct oxidation of alkanoic acids and their amides to γ-lactones by peroxydisulphate-containing systems GI Nikishin, IV Svitanko, EI Troyansky Journal of the Chemical Society, Perkin Transactions 2, 595-601, 1983 | 60 | 1983 |
| 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 |
| Target synthesis of bioactive thioglycolurils, based on QSAR predictions GA Gazieva, YB Vikharev, LV Anikina, TB Karpova, AN Kravchenko, ... Mendeleev Communications 23 (4), 202-203, 2013 | 33 | 2013 |
| QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances) IV Svitanko, DA Devetyarov, DE Tcheboukov, MS Dolmat, AM Zakharov, ... Mendeleev Communications 17 (2), 90-91, 2007 | 28 | 2007 |
| 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 |
| Molecular basis of COVID-19 pathogenesis FN Novikov, VS Stroylov, IV Svitanko, VE Nebolsin Russian Chemical Reviews 89 (8), 858, 2020 | 23 | 2020 |
| Diphenylacetylene hydrogenation on a PdAg /Al2O3 single-atom catalyst: an experimental and DFT study AV Rassolov, DS Krivoruchenko, MG Medvedev, IS Mashkovsky, ... Mendeleev Communications 27 (6), 615-617, 2017 | 20 | 2017 |
| Computational identification of disulfiram and neratinib as putative SARS-CoV-2 main protease inhibitors VS Stroylov, IV Svitanko Mendeleev Communications 30 (4), 419-420, 2020 | 16 | 2020 |
| N, O-acylotropy in N-methylpentanehydroxamic acid GI Nikishin, EI Troyansky, IV Svitanko, OS Chizhov Tetrahedron letters 25 (1), 97-98, 1984 | 15 | 1984 |
| 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 |
| QSAR Modeling on the Base of Electrostatic Molecular Surface (Amber Fragrances) IV Svitanko, MI Kumskov, DE Tcheboukov, MS Dolmat, AM Zakharov, ... 16th European Symposium on Quantum Structure-Activity Relationships and …, 2007 | 11 | 2007 |
| Computational modeling and target synthesis of monomethoxy-substituted o-diphenylisoxazoles with unexpectedly high antimitotic microtubule destabilizing activity VS Stroylov, IV Svitanko, AS Maksimenko, VP Kislyi, MN Semenova, ... Bioorganic & Medicinal Chemistry Letters 30 (23), 127608, 2020 | 10 | 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 |
| The first synthesis and molecular docking studies of diastereomerically pure substituted 4-amino-7-hydroxyheptanoic acids AY Sukhorukov, SO Andryushkevich, GG Chilov, AA Zeifman, IV Svitanko, ... Mendeleev Communications 4 (21), 183-185, 2011 | 8 | 2011 |
| Modeling of the Diels–Alder reaction enantioselectivity by quantum mechanics and molecular mechanics AA Zeifman, VS Stroylov, IY Titov, FN Novikov, OV Stroganov, IV Svitanko, ... Mendeleev Communications 25 (4), 269-270, 2015 | 7 | 2015 |
| Novel PARP1 inhibitors potentiate doxorubicin antitumor activity in vitro TV Rakitina, AA Zeifman, FN Novikov, OV Stroganov, VS Stroylov, ... Mendeleev Communications 5 (25), 364-366, 2015 | 7 | 2015 |
| Efficacy of novel Syk-kinase inhibitors MT-SYK-03 and MT-SYK-322 in cellular models of autoimmunity and cancer TV Rakitina, AA Zeifman, IY Titov, IV Svitanko, AV Lipkin, VS Stroylov, ... Mendeleev Communications 22 (6), 287-289, 2012 | 7 | 2012 |
| Combining 3D-QSAR and molecular docking for the virtual screening of PARP inhibitors EI Prokhorov, AV Bekker, AV Perevoznikov, MI Kumskov, IV Svitanko Mendeleev Communications 3 (25), 214-215, 2015 | 6 | 2015 |
| Modeling of novel CDK7 inhibitors activity by molecular dynamics and free energy perturbation methods PV Rusina, IY Titov, MV Panova, VS Stroylov, YR Abdyusheva, ... Mendeleev Communications 30 (4), 430-432, 2020 | 5 | 2020 |
