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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: walsh ma. 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.
The nsp9 replicase protein of SARS-coronavirus, structure and functional insights.
Sutton G, Fry E, Carter L, Sainsbury S, Walter T, Nettleship J, Berrow N, Owens R, Gilbert R, Davidson A, Siddell S, Poon LL, Diprose J, Alderton D, Walsh M, Grimes JM, Stuart DI. Sutton G, et al. Structure. 2004 Feb;12(2):341-53. doi: 10.1016/j.str.2004.01.016. Structure. 2004. PMID: 14962394 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: walsh ma. 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
SynchLink: an iOS app for ISPyB.
Ginn HM, Mostefaoui GK, Levik KE, Grimes JM, Walsh MA, Ashton AW, Stuart DI. Ginn HM, et al. Among authors: walsh ma. J Appl Crystallogr. 2014 Sep 4;47(Pt 5):1781-1783. doi: 10.1107/S1600576714017531. eCollection 2014 Oct 1. J Appl Crystallogr. 2014. PMID: 25294981 Free PMC article.
Application of in situ diffraction in high-throughput structure determination platforms.
Aller P, Sanchez-Weatherby J, Foadi J, Winter G, Lobley CM, Axford D, Ashton AW, Bellini D, Brandao-Neto J, Culurgioni S, Douangamath A, Duman R, Evans G, Fisher S, Flaig R, Hall DR, Lukacik P, Mazzorana M, McAuley KE, Mykhaylyk V, Owen RL, Paterson NG, Romano P, Sandy J, Sorensen T, von Delft F, Wagner A, Warren A, Williams M, Stuart DI, Walsh MA. Aller P, et al. Among authors: walsh ma. Methods Mol Biol. 2015;1261:233-53. doi: 10.1007/978-1-4939-2230-7_13. Methods Mol Biol. 2015. PMID: 25502203 Review.
Electron Bio-Imaging Centre (eBIC): the UK national research facility for biological electron microscopy.
Clare DK, Siebert CA, Hecksel C, Hagen C, Mordhorst V, Grange M, Ashton AW, Walsh MA, Grünewald K, Saibil HR, Stuart DI, Zhang P. Clare DK, et al. Among authors: walsh ma. Acta Crystallogr D Struct Biol. 2017 Jun 1;73(Pt 6):488-495. doi: 10.1107/S2059798317007756. Epub 2017 May 31. Acta Crystallogr D Struct Biol. 2017. PMID: 28580910 Free PMC article.
Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Roversi P, Marti L, Caputo AT, Alonzi DS, Hill JC, Dent KC, Kumar A, Levasseur MD, Lia A, Waksman T, Basu S, Soto Albrecht Y, Qian K, McIvor JP, Lipp CB, Siliqi D, Vasiljević S, Mohammed S, Lukacik P, Walsh MA, Santino A, Zitzmann N. Roversi P, et al. Among authors: walsh ma. Proc Natl Acad Sci U S A. 2017 Aug 8;114(32):8544-8549. doi: 10.1073/pnas.1703682114. Epub 2017 Jul 24. Proc Natl Acad Sci U S A. 2017. PMID: 28739903 Free PMC article.
205 results