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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.
The emerging role of cloud computing in molecular modelling.
Ebejer JP, Fulle S, Morris GM, Finn PW. Ebejer JP, et al. Among authors: morris gm. J Mol Graph Model. 2013 Jul;44:177-87. doi: 10.1016/j.jmgm.2013.06.002. Epub 2013 Jun 17. J Mol Graph Model. 2013. PMID: 23835611 Review.
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.
Molecular similarity including chirality.
Armstrong MS, Morris GM, Finn PW, Sharma R, Richards WG. Armstrong MS, et al. Among authors: morris gm. J Mol Graph Model. 2009 Nov;28(4):368-70. doi: 10.1016/j.jmgm.2009.09.002. Epub 2009 Sep 16. J Mol Graph Model. 2009. PMID: 19801197
255 results