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Discovery of a novel kinase hinge binder fragment by dynamic undocking.
Rachman M, Bajusz D, Hetényi A, Scarpino A, Merő B, Egyed A, Buday L, Barril X, Keserű GM. Rachman M, et al. Among authors: egyed a. RSC Med Chem. 2020 Mar 4;11(5):552-558. doi: 10.1039/c9md00519f. eCollection 2020 May 1. RSC Med Chem. 2020. PMID: 33479656 Free PMC article.
Generating repairs for inconsistent models.
Marchezan L, Kretschmer R, Assunção WKG, Reder A, Egyed A. Marchezan L, et al. Among authors: egyed a. Softw Syst Model. 2023;22(1):297-329. doi: 10.1007/s10270-022-00996-0. Epub 2022 Apr 4. Softw Syst Model. 2023. PMID: 36844942 Free PMC article.
47 results