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Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding.
Chan HTH, Moesser MA, Walters RK, Malla TR, Twidale RM, John T, Deeks HM, Johnston-Wood T, Mikhailov V, Sessions RB, Dawson W, Salah E, Lukacik P, Strain-Damerell C, Owen CD, Nakajima T, Świderek K, Lodola A, Moliner V, Glowacki DR, Spencer J, Walsh MA, Schofield CJ, Genovese L, Shoemark DK, Mulholland AJ, Duarte F, Morris GM. Chan HTH, et al. Among authors: morris gm. Chem Sci. 2021 Sep 6;12(41):13686-13703. doi: 10.1039/d1sc03628a. eCollection 2021 Oct 27. Chem Sci. 2021. PMID: 34760153 Free PMC article.
Discovery and pharmacophoric characterization of chemokine network inhibitors using phage-display, saturation mutagenesis and computational modelling.
Vales S, Kryukova J, Chandra S, Smagurauskaite G, Payne M, Clark CJ, Hafner K, Mburu P, Denisov S, Davies G, Outeiral C, Deane CM, Morris GM, Bhattacharya S. Vales S, et al. Among authors: morris gm. Nat Commun. 2023 Sep 16;14(1):5763. doi: 10.1038/s41467-023-41488-z. Nat Commun. 2023. PMID: 37717048 Free PMC article.
Understanding Conformational Entropy in Small Molecules.
Chan L, Morris GM, Hutchison GR. Chan L, et al. Among authors: morris gm. J Chem Theory Comput. 2021 Apr 13;17(4):2099-2106. doi: 10.1021/acs.jctc.0c01213. Epub 2021 Mar 24. J Chem Theory Comput. 2021. PMID: 33759518
258 results