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Accelerating drug target inhibitor discovery with a deep generative foundation model.
Chenthamarakshan V, Hoffman SC, Owen CD, Lukacik P, Strain-Damerell C, Fearon D, Malla TR, Tumber A, Schofield CJ, Duyvesteyn HME, Dejnirattisai W, Carrique L, Walter TS, Screaton GR, Matviiuk T, Mojsilovic A, Crain J, Walsh MA, Stuart DI, Das P. Chenthamarakshan V, et al. Among authors: stuart di. Sci Adv. 2023 Jun 23;9(25):eadg7865. doi: 10.1126/sciadv.adg7865. Epub 2023 Jun 21. Sci Adv. 2023. PMID: 37343087 Free PMC article.
Going soft and SAD with manganese.
Salgado PS, Walsh MA, Laurila MR, Stuart DI, Grimes JM. Salgado PS, et al. Among authors: stuart di. Acta Crystallogr D Biol Crystallogr. 2005 Jan;61(Pt 1):108-11. doi: 10.1107/S0907444904026800. Epub 2004 Dec 17. Acta Crystallogr D Biol Crystallogr. 2005. PMID: 15608382
High-resolution structure of the catalytic region of MICAL (molecule interacting with CasL), a multidomain flavoenzyme-signaling molecule.
Siebold C, Berrow N, Walter TS, Harlos K, Owens RJ, Stuart DI, Terman JR, Kolodkin AL, Pasterkamp RJ, Jones EY. Siebold C, et al. Among authors: stuart di. Proc Natl Acad Sci U S A. 2005 Nov 15;102(46):16836-41. doi: 10.1073/pnas.0504997102. Epub 2005 Nov 7. Proc Natl Acad Sci U S A. 2005. PMID: 16275925 Free PMC article.
442 results