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Deep learning enables rapid identification of potent DDR1 kinase inhibitors.
Zhavoronkov A, Ivanenkov YA, Aliper A, Veselov MS, Aladinskiy VA, Aladinskaya AV, Terentiev VA, Polykovskiy DA, Kuznetsov MD, Asadulaev A, Volkov Y, Zholus A, Shayakhmetov RR, Zhebrak A, Minaeva LI, Zagribelnyy BA, Lee LH, Soll R, Madge D, Xing L, Guo T, Aspuru-Guzik A. Zhavoronkov A, et al. Among authors: xing l. Nat Biotechnol. 2019 Sep;37(9):1038-1040. doi: 10.1038/s41587-019-0224-x. Epub 2019 Sep 2. Nat Biotechnol. 2019. PMID: 31477924
Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Iketani S, Forouhar F, Liu H, Hong SJ, Lin FY, Nair MS, Zask A, Huang Y, Xing L, Stockwell BR, Chavez A, Ho DD. Iketani S, et al. Among authors: xing l. Nat Commun. 2021 Apr 1;12(1):2016. doi: 10.1038/s41467-021-22362-2. Nat Commun. 2021. PMID: 33795671 Free PMC article.
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.
Struble TJ, Alvarez JC, Brown SP, Chytil M, Cisar J, DesJarlais RL, Engkvist O, Frank SA, Greve DR, Griffin DJ, Hou X, Johannes JW, Kreatsoulas C, Lahue B, Mathea M, Mogk G, Nicolaou CA, Palmer AD, Price DJ, Robinson RI, Salentin S, Xing L, Jaakkola T, Green WH, Barzilay R, Coley CW, Jensen KF. Struble TJ, et al. Among authors: xing l. J Med Chem. 2020 Aug 27;63(16):8667-8682. doi: 10.1021/acs.jmedchem.9b02120. Epub 2020 Apr 14. J Med Chem. 2020. PMID: 32243158 Free PMC article.
Inhibitors of Coronavirus 3CL Proteases Protect Cells from Protease-Mediated Cytotoxicity.
Resnick SJ, Iketani S, Hong SJ, Zask A, Liu H, Kim S, Melore S, Lin FY, Nair MS, Huang Y, Lee S, Tay NES, Rovis T, Yang HW, Xing L, Stockwell BR, Ho DD, Chavez A. Resnick SJ, et al. Among authors: xing l. J Virol. 2021 Jun 24;95(14):e0237420. doi: 10.1128/JVI.02374-20. Epub 2021 Jun 24. J Virol. 2021. PMID: 33910954 Free PMC article.
3,618 results