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The role of human in the loop: lessons from D3R challenge 4.
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
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. Among authors: svitanko i.
Cancers (Basel). 2023 Jul 25;15(15):3766. doi: 10.3390/cancers15153766.
Cancers (Basel). 2023.
PMID: 37568583
Free PMC article.
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Quantifying Possible Routes for SpnF-Catalyzed Formal Diels-Alder Cycloaddition.
Medvedev MG, Zeifman AA, Novikov FN, Bushmarinov IS, Stroganov OV, Titov IY, Chilov GG, Svitanko IV.
Medvedev MG, et al. Among authors: svitanko iv.
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
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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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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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