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The freedom space - a new set of commercially available molecules for hit discovery.
Protopopov MV, Tararina VV, Bonachera F, Dzyuba IM, Kapeliukha A, Hlotov S, Chuk O, Marcou G, Klimchuk O, Horvath D, Yeghyan E, Savych O, Tarkhanova OO, Varnek A, Moroz YS. Protopopov MV, et al. Among authors: klimchuk o. Mol Inform. 2024 Aug 22:e202400114. doi: 10.1002/minf.202400114. Online ahead of print. Mol Inform. 2024. PMID: 39171757
SynthI: A New Open-Source Tool for Synthon-Based Library Design.
Zabolotna Y, Volochnyuk DM, Ryabukhin SV, Gavrylenko K, Horvath D, Klimchuk O, Oksiuta O, Marcou G, Varnek A. Zabolotna Y, et al. Among authors: klimchuk o. J Chem Inf Model. 2022 May 9;62(9):2151-2163. doi: 10.1021/acs.jcim.1c00754. Epub 2021 Nov 1. J Chem Inf Model. 2022. PMID: 34723532
In Vitro Evaluation of In Silico Screening Approaches in Search for Selective ACE2 Binding Chemical Probes.
Rayevsky AV, Poturai AS, Kravets IO, Pashenko AE, Borisova TA, Tolstanova GM, Volochnyuk DM, Borysko PO, Vadzyuk OB, Alieksieieva DO, Zabolotna Y, Klimchuk O, Horvath D, Marcou G, Ryabukhin SV, Varnek A. Rayevsky AV, et al. Among authors: klimchuk o. Molecules. 2022 Aug 24;27(17):5400. doi: 10.3390/molecules27175400. Molecules. 2022. PMID: 36080168 Free PMC article.
Design, Virtual Screening, and Synthesis of Antagonists of αIIbβ3 as Antiplatelet Agents.
Polishchuk PG, Samoylenko GV, Khristova TM, Krysko OL, Kabanova TA, Kabanov VM, Kornylov AY, Klimchuk O, Langer T, Andronati SA, Kuz'min VE, Krysko AA, Varnek A. Polishchuk PG, et al. Among authors: klimchuk o. J Med Chem. 2015 Oct 8;58(19):7681-94. doi: 10.1021/acs.jmedchem.5b00865. Epub 2015 Sep 25. J Med Chem. 2015. PMID: 26367138
23 results