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Multiscale simulation approaches to modeling drug-protein binding.
Jagger BR, Kochanek SE, Haldar S, Amaro RE, Mulholland AJ. Jagger BR, et al. Among authors: kochanek se. Curr Opin Struct Biol. 2020 Apr;61:213-221. doi: 10.1016/j.sbi.2020.01.014. Epub 2020 Feb 26. Curr Opin Struct Biol. 2020. PMID: 32113133 Review.
Discovery and Optimization of First-in-Class Molecular Glue Degraders of the WIZ Transcription Factor for Fetal Hemoglobin Induction to Treat Sickle Cell Disease.
Kerrigan JR, Thomsen NM, Cernijenko A, Kochanek SE, Dewhurst J, O'Brien G, Ware NF, Sanchez CC, Manning JR, Ma X, Ornelas E, Savage NA, Partridge JR, Patterson AW, Lam P, Dales NA, Bonazzi S, Borikar S, Hinman AE, Ting PY. Kerrigan JR, et al. Among authors: kochanek se. J Med Chem. 2024 Nov 28;67(22):20682-20694. doi: 10.1021/acs.jmedchem.4c02251. Epub 2024 Nov 14. J Med Chem. 2024. PMID: 39541509