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Quantifying Possible Routes for SpnF-Catalyzed Formal Diels-Alder Cycloaddition.
J Am Chem Soc. 2017 Mar 22;139(11):3942-3945. doi: 10.1021/jacs.6b13243. Epub 2017 Mar 7.
J Am Chem Soc. 2017.
PMID: 28240878
An explicit account of solvation is essential for modeling Suzuki-Miyaura coupling in protic solvents.
Zeifman AA, Novikov FN, Stroylov VS, Stroganov OV, Svitanko IV, Chilov GG.
Zeifman AA, et al. Among authors: svitanko iv.
Dalton Trans. 2015 Oct 28;44(40):17795-9. doi: 10.1039/c5dt03126e. Epub 2015 Sep 23.
Dalton Trans. 2015.
PMID: 26399304
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The role of human in the loop: lessons from D3R challenge 4.
Stroganov OV, Novikov FN, Medvedev MG, Dmitrienko AO, Gerasimov I, Svitanko IV, Chilov GG.
Stroganov OV, et al. Among authors: svitanko iv.
J Comput Aided Mol Des. 2020 Feb;34(2):121-130. doi: 10.1007/s10822-020-00291-4. Epub 2020 Jan 21.
J Comput Aided Mol Des. 2020.
PMID: 31965405
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Imidazole-4-N-acetamide Derivatives as a Novel Scaffold for Selective Targeting of Cyclin Dependent Kinases.
Rusina P, Gandalipov E, Abdusheva Y, Panova M, Burdenkova A, Chaliy V, Brachs M, Stroganov O, Guzeeva K, Svitanko I, Shtil A, Novikov F.
Rusina P, et al.
Cancers (Basel). 2023 Jul 25;15(15):3766. doi: 10.3390/cancers15153766.
Cancers (Basel). 2023.
PMID: 37568583
Free PMC article.
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Computational modeling and target synthesis of monomethoxy-substituted o-diphenylisoxazoles with unexpectedly high antimitotic microtubule destabilizing activity.
Stroylov VS, Svitanko IV, Maksimenko AS, Kislyi VP, Semenova MN, Semenov VV.
Stroylov VS, et al. Among authors: svitanko iv.
Bioorg Med Chem Lett. 2020 Dec 1;30(23):127608. doi: 10.1016/j.bmcl.2020.127608. Epub 2020 Oct 7.
Bioorg Med Chem Lett. 2020.
PMID: 33038545
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Computational insight into the crystal structures of cubane and azacubanes.
Khakimov DV, Svitanko IV, Pivina TS.
Khakimov DV, et al. Among authors: svitanko iv.
J Mol Model. 2024 Mar 4;30(4):93. doi: 10.1007/s00894-024-05891-7.
J Mol Model. 2024.
PMID: 38433164
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