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Deep generative design with 3D pharmacophoric constraints.
Imrie F, Hadfield TE, Bradley AR, Deane CM. Imrie F, et al. Among authors: deane cm. Chem Sci. 2021 Oct 25;12(43):14577-14589. doi: 10.1039/d1sc02436a. eCollection 2021 Nov 10. Chem Sci. 2021. PMID: 34881010 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: deane cm. Nat Commun. 2023 Sep 16;14(1):5763. doi: 10.1038/s41467-023-41488-z. Nat Commun. 2023. PMID: 37717048 Free PMC article.
Deep Generative Models for 3D Linker Design.
Imrie F, Bradley AR, van der Schaar M, Deane CM. Imrie F, et al. Among authors: deane cm. J Chem Inf Model. 2020 Apr 27;60(4):1983-1995. doi: 10.1021/acs.jcim.9b01120. Epub 2020 Apr 2. J Chem Inf Model. 2020. PMID: 32195587 Free PMC article.
222 results