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Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study.
Evteev S, Ivanenkov Y, Semenov I, Malkov M, Mazaleva O, Bodunov A, Bezrukov D, Sidorenko D, Terentiev V, Malyshev A, Zagribelnyy B, Korzhenevskaya A, Aliper A, Zhavoronkov A. Evteev S, et al. Among authors: bezrukov d. Front Chem. 2024 Apr 3;12:1382512. doi: 10.3389/fchem.2024.1382512. eCollection 2024. Front Chem. 2024. PMID: 38633987 Free PMC article.
The Hitchhiker's Guide to Deep Learning Driven Generative Chemistry.
Ivanenkov Y, Zagribelnyy B, Malyshev A, Evteev S, Terentiev V, Kamya P, Bezrukov D, Aliper A, Ren F, Zhavoronkov A. Ivanenkov Y, et al. Among authors: bezrukov d. ACS Med Chem Lett. 2023 Jun 30;14(7):901-915. doi: 10.1021/acsmedchemlett.3c00041. eCollection 2023 Jul 13. ACS Med Chem Lett. 2023. PMID: 37465301 Free PMC article. Review.
Chemistry42: An AI-Driven Platform for Molecular Design and Optimization.
Ivanenkov YA, Polykovskiy D, Bezrukov D, Zagribelnyy B, Aladinskiy V, Kamya P, Aliper A, Ren F, Zhavoronkov A. Ivanenkov YA, et al. Among authors: bezrukov d. J Chem Inf Model. 2023 Feb 13;63(3):695-701. doi: 10.1021/acs.jcim.2c01191. Epub 2023 Feb 2. J Chem Inf Model. 2023. PMID: 36728505 Free PMC article.
Influenza A virus polymerase acidic protein E23G/K substitutions weaken key baloxavir drug-binding contacts with minimal impact on replication and transmission.
Jones JC, Zagribelnyy B, Pascua PNQ, Bezrukov DS, Barman S, Okda F, Webby RJ, Ivanenkov YA, Govorkova EA. Jones JC, et al. Among authors: bezrukov ds. PLoS Pathog. 2022 Jul 13;18(7):e1010698. doi: 10.1371/journal.ppat.1010698. eCollection 2022 Jul. PLoS Pathog. 2022. PMID: 35830486 Free PMC article.
Antibacterial activity of noscapine analogs.
Ivanenkov YA, Yu Filyaeva K, Matniyazov RT, Baymiev AK, Baymiev AK, Vladimirova AA, Yamidanov RS, Mavzyutov AR, Zileeva ZR, Zainullina LF, Vakhitova JV, Marina VI, Terentiev VA, Osterman IA, Kartsev VG, Bezrukov DS, Dontsova OA. Ivanenkov YA, et al. Among authors: bezrukov ds. Bioorg Med Chem Lett. 2021 Jul 1;43:128055. doi: 10.1016/j.bmcl.2021.128055. Epub 2021 Apr 21. Bioorg Med Chem Lett. 2021. PMID: 33892103
28 results