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Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge.
Xiong Z, Jeon M, Allaway RJ, Kang J, Park D, Lee J, Jeon H, Ko M, Jiang H, Zheng M, Tan AC, Guo X; Multi-Targeting Drug DREAM Challenge Community; Dang KK, Tropsha A, Hecht C, Das TK, Carlson HA, Abagyan R, Guinney J, Schlessinger A, Cagan R. Xiong Z, et al. Among authors: tropsha a. PLoS Comput Biol. 2021 Sep 14;17(9):e1009302. doi: 10.1371/journal.pcbi.1009302. eCollection 2021 Sep. PLoS Comput Biol. 2021. PMID: 34520464 Free PMC article.
Comprehensive characterization of the Published Kinase Inhibitor Set.
Elkins JM, Fedele V, Szklarz M, Abdul Azeez KR, Salah E, Mikolajczyk J, Romanov S, Sepetov N, Huang XP, Roth BL, Al Haj Zen A, Fourches D, Muratov E, Tropsha A, Morris J, Teicher BA, Kunkel M, Polley E, Lackey KE, Atkinson FL, Overington JP, Bamborough P, Müller S, Price DJ, Willson TM, Drewry DH, Knapp S, Zuercher WJ. Elkins JM, et al. Among authors: tropsha a. Nat Biotechnol. 2016 Jan;34(1):95-103. doi: 10.1038/nbt.3374. Epub 2015 Oct 26. Nat Biotechnol. 2016. PMID: 26501955
Deep reinforcement learning for de novo drug design.
Popova M, Isayev O, Tropsha A. Popova M, et al. Among authors: tropsha a. Sci Adv. 2018 Jul 25;4(7):eaap7885. doi: 10.1126/sciadv.aap7885. eCollection 2018 Jul. Sci Adv. 2018. PMID: 30050984 Free PMC article.
Knowledge-based approaches to drug discovery for rare diseases.
Alves VM, Korn D, Pervitsky V, Thieme A, Capuzzi SJ, Baker N, Chirkova R, Ekins S, Muratov EN, Hickey A, Tropsha A. Alves VM, et al. Among authors: tropsha a. Drug Discov Today. 2022 Feb;27(2):490-502. doi: 10.1016/j.drudis.2021.10.014. Epub 2021 Oct 27. Drug Discov Today. 2022. PMID: 34718207 Free PMC article. Review.
273 results