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An open-source drug discovery platform enables ultra-large virtual screens.
Gorgulla C, Boeszoermenyi A, Wang ZF, Fischer PD, Coote PW, Padmanabha Das KM, Malets YS, Radchenko DS, Moroz YS, Scott DA, Fackeldey K, Hoffmann M, Iavniuk I, Wagner G, Arthanari H. Gorgulla C, et al. Among authors: scott da. Nature. 2020 Apr;580(7805):663-668. doi: 10.1038/s41586-020-2117-z. Epub 2020 Mar 9. Nature. 2020. PMID: 32152607 Free PMC article.
A small molecule exerts selective antiviral activity by targeting the human cytomegalovirus nuclear egress complex.
Chen H, Lye MF, Gorgulla C, Ficarro SB, Cuny GD, Scott DA, Wu F, Rothlauf PW, Wang X, Fernandez R, Pesola JM, Draga S, Marto JA, Hogle JM, Arthanari H, Coen DM. Chen H, et al. Among authors: scott da. PLoS Pathog. 2023 Nov 17;19(11):e1011781. doi: 10.1371/journal.ppat.1011781. eCollection 2023 Nov. PLoS Pathog. 2023. PMID: 37976321 Free PMC article.
An allosteric inhibitor against the therapy-resistant mutant forms of EGFR in non-small cell lung cancer.
To C, Beyett TS, Jang J, Feng WW, Bahcall M, Haikala HM, Shin BH, Heppner DE, Rana JK, Leeper BA, Soroko KM, Poitras MJ, Gokhale PC, Kobayashi Y, Wahid K, Kurppa KJ, Gero TW, Cameron MD, Ogino A, Mushajiang M, Xu C, Zhang Y, Scott DA, Eck MJ, Gray NS, Jänne PA. To C, et al. Among authors: scott da. Nat Cancer. 2022 Apr;3(4):402-417. doi: 10.1038/s43018-022-00351-8. Epub 2022 Apr 14. Nat Cancer. 2022. PMID: 35422503 Free PMC article.
Peptide-based covalent inhibitors of MALT1 paracaspase.
Hatcher JM, Du G, Fontán L, Us I, Qiao Q, Chennamadhavuni S, Shao J, Wu H, Melnick A, Gray NS, Scott DA. Hatcher JM, et al. Among authors: scott da. Bioorg Med Chem Lett. 2019 Jun 1;29(11):1336-1339. doi: 10.1016/j.bmcl.2019.03.046. Epub 2019 Mar 29. Bioorg Med Chem Lett. 2019. PMID: 30954428
Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Zeng M, Lu J, Li L, Feru F, Quan C, Gero TW, Ficarro SB, Xiong Y, Ambrogio C, Paranal RM, Catalano M, Shao J, Wong KK, Marto JA, Fischer ES, Jänne PA, Scott DA, Westover KD, Gray NS. Zeng M, et al. Among authors: scott da. Cell Chem Biol. 2017 Aug 17;24(8):1005-1016.e3. doi: 10.1016/j.chembiol.2017.06.017. Epub 2017 Aug 3. Cell Chem Biol. 2017. PMID: 28781124 Free article.
Specific covalent inhibition of MALT1 paracaspase suppresses B cell lymphoma growth.
Fontán L, Qiao Q, Hatcher JM, Casalena G, Us I, Teater M, Durant M, Du G, Xia M, Bilchuk N, Chennamadhavuni S, Palladino G, Inghirami G, Philippar U, Wu H, Scott DA, Gray NS, Melnick A. Fontán L, et al. Among authors: scott da. J Clin Invest. 2018 Oct 1;128(10):4397-4412. doi: 10.1172/JCI99436. Epub 2018 Jul 19. J Clin Invest. 2018. PMID: 30024860 Free PMC article.
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