Articles - Sciact

Articles (32)

#	Публикация
1	Timofeev Y.V. , Mrasov A.M. , Panova M.V. , Novikov F.N. , Svitanko I. How to stop worrying and love multiple citation experimental data Mendeleev Communications. 2025. V.35. N2. P.224-227. DOI: 10.71267/mencom.7710 WOS Scopus OpenAlex
2	Khakimov D.V. , Svitanko I.V. , Fershtat L.L. Energetic tetrazoles and their rare 2N-oxides: Investigation of thermochemical properties New Journal of Chemistry. 2025. V.49. N22. P.9389-9394. DOI: 10.1039/d5nj01150g WOS Scopus OpenAlex
3	Svitanko I.V. , Pivina T.S. Molecular modeling in synthesis: from statistical methods to quantum chemistry and practical applications Russian Chemical Bulletin. 2024. V.73. N5. P.1093-1108. DOI: 10.1007/s11172-024-4226-6 WOS Scopus OpenAlex
4	Khakimov D.V. , Svitanko I.V. , Pivina T.S. Computational insight into the crystal structures of cubane and azacubanes Journal of Molecular Modeling. 2024. V.30. N4. 93 . DOI: 10.1007/s00894-024-05891-7 WOS Scopus OpenAlex
5	Egorov M.P. , Ananikov V.P. , Baskir E.G. , Boganov S.E. , Bogdan V.I. , Vereshchagin A.N. , Vil’ V.A. , Dalinger I.L. , Dilman A.D. , Eliseev O.L. , Zlotin S.G. , Knyazeva E.A. , Kogan V.M. , Kononov L.O. , Krayushkin M.M. , Krylov V.B. , Kustov L.M. , Levin V.V. , Lichitsky B.V. , Medvedev M.G. , Nifantiev N.E. , Rakitin O.A. , Sakharov A.M. , Svitanko I.V. , Smirnov G.A. , Stakheev A.Y. , Syroeshkin M.A. , Terent’ev A.O. , Tomilov Y.V. , Tretyakov E.V. , Trushkov I.V. , Fershtat L.L. , Chaliy V.A. , Shirinian V.Z. Current trends in organic chemistry: contribution of the N. D. Zelinsky Institute of Organic Chemistry of the Russian Academy of Sciences Russian Chemical Bulletin. 2024. V.73. N9. P.2423-2532. DOI: 10.1007/s11172-024-4366-8 WOS Scopus OpenAlex
6	Rusina P. , Gandalipov E. , Abdusheva Y. , Panova M. , Burdenkova A. , Chaliy V. , Brachs M. , Stroganov O. , Guzeeva K. , Svitanko I. , Shtil A. , Novikov F. Imidazole-4-N-acetamide Derivatives as a Novel Scaffold for Selective Targeting of Cyclin Dependent Kinases Cancers. 2023. V.15. N15. 3766 . DOI: 10.3390/cancers15153766 WOS Scopus OpenAlex
7	Medvedev M.G. , Stroganov O.V. , Dmitrienko A.O. , Panova M.V. , Lisov A.A. , Svitanko I.V. , Novikov F.N. , Chilov G.G. Reducing false-positive rates in virtual screening via cancellation of systematic errors in the scoring function Mendeleev Communications. 2022. V.32. N6. P.735-738. DOI: 10.1016/j.mencom.2022.11.009 WOS Scopus OpenAlex
8	Yaroslavtsev A.B. , Svitanko I.V. , Egorov M.P. The time to learn. To Oleg Matveevich Nefedov: scientist, organizer, and teacher Russian Chemical Bulletin. 2022. V.71. N1. P.176-180. DOI: 10.1007/s11172-022-3394-5 WOS OpenAlex
9	Stroylov V.S. , Svitanko I.V. Computational identification of disulfiram and neratinib as putative SARS-CoV-2 main protease inhibitors Mendeleev Communications. 2020. V.30. N4. P.419-420. DOI: 10.1016/j.mencom.2020.07.004 WOS Scopus OpenAlex
10	Stroganov O.V. , Novikov F.N. , Medvedev M.G. , Dmitrienko A.O. , Gerasimov I. , Svitanko I.V. , Chilov G.G. The role of human in the loop: lessons from D3R challenge 4 Journal of Computer-Aided Molecular Design. 2020. V.34. N2. P.121-130. DOI: 10.1007/s10822-020-00291-4 WOS Scopus OpenAlex
11	Stroylov V.S. , Svitanko I.V. , Maksimenko A.S. , Kislyi V.P. , Semenova M.N. , Semenov V.V. Computational modeling and target synthesis of monomethoxy-substituted o-diphenylisoxazoles with unexpectedly high antimitotic microtubule destabilizing activity Bioorganic & Medicinal Chemistry Letters. 2020. V.30. N23. 127608 . DOI: 10.1016/j.bmcl.2020.127608 WOS Scopus OpenAlex
12	Rusina P.V. , Titov I.Y. , Panova M.V. , Stroylov V.S. , Abdyusheva Y.R. , Murlatova E.Y. , Svitanko I.V. , Novikov F.N. Modeling of novel CDK7 inhibitors activity by molecular dynamics and free energy perturbation methods Mendeleev Communications. 2020. V.30. N4. P.430-432. DOI: 10.1016/j.mencom.2020.07.008 WOS Scopus OpenAlex
13	Novikov F.N. , Stroylov V.S. , Svitanko I.V. , Nebolsin V.E. Molecular basis of COVID-19 pathogenesis Russian Chemical Reviews. 2020. V.89. N8. P.858-878. DOI: 10.1070/RCR4961 WOS Scopus OpenAlex
14	Rassolov A.V. , Krivoruchenko D.S. , Medvedev M.G. , Mashkovsky I.S. , Stakheev A.Y. , Svitanko I.V. Diphenylacetylene hydrogenation on a PdAg /Al 2 O 3 single-atom catalyst: an experimental and DFT study Mendeleev Communications. 2017. V.27. N6. P.615-617. DOI: 10.1016/j.mencom.2017.11.026 WOS Scopus OpenAlex
15	Medvedev M.G. , Novikov F.N. , Bushmarinov I.S. , Zeifman A.A. , Polkovnichenko M.S. , Stroganov O.V. , Chilov G.G. , Lyssenko K.A. , Svitanko I.V. Charge redistribution in the SpnF-catalyzed Diels–Alder reaction Mendeleev Communications. 2017. V.27. N5. P.500-502. DOI: 10.1016/j.mencom.2017.09.024 WOS Scopus OpenAlex
16	Stroylov V.S. , Katkov D.V. , Titov I.Y. , Stroganov O.V. , Novikov F.N. , Chilov G.G. , Svitanko I.V. Modeling comparative selectivity profiles of kinase inhibitors using FEP/MD protocol Mendeleev Communications. 2017. V.27. N4. P.349-351. DOI: 10.1016/j.mencom.2017.07.009 WOS Scopus OpenAlex
17	Medvedev M.G. , Zeifman A.A. , Novikov F.N. , Bushmarinov I.S. , Stroganov O.V. , Titov I.Y. , Chilov G.G. , Svitanko I.V. Quantifying Possible Routes for SpnF-Catalyzed Formal Diels–Alder Cycloaddition Journal of the American Chemical Society. 2017. V.139. N11. P.3942-3945. DOI: 10.1021/jacs.6b13243 WOS Scopus OpenAlex
18	Medvedev M.G. , Panova M.V. , Chilov G.G. , Bushmarinov I.S. , Novikov F.N. , Stroganov O.V. , Zeifman A.A. , Svitanko I.V. Exhaustive conformational search for transition states: the case of catechol O -methyltransferase active site Mendeleev Communications. 2017. V.27. N3. P.224-227. DOI: 10.1016/j.mencom.2017.05.002 WOS Scopus OpenAlex
19	Zeifman A.A. , Novikov F.N. , Stroylov V.S. , Stroganov O.V. , Svitanko I.V. , Chilov G.G. An explicit account of solvation is essential for modeling Suzuki–Miyaura coupling in protic solvents Dalton Transactions. 2015. V.44. N40. P.17795-17799. DOI: 10.1039/c5dt03126e WOS Scopus OpenAlex
20	Zeifman A.A. , Stroylov V.S. , Titov I.Y. , Novikov F.N. , Stroganov O.V. , Svitanko I.V. , Chilov G.G. Modeling of the Diels–Alder reaction enantioselectivity by quantum mechanics and molecular mechanics Mendeleev Communications. 2015. V.25. N4. P.269-270. DOI: 10.1016/j.mencom.2015.07.012 WOS Scopus OpenAlex

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