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Combined docking and machine learning identify key molecular determinants of ligand pharmacological activity on β2 adrenoceptor.
Jiménez-Rosés M, Morgan BA, Jimenez Sigstad M, Tran TDZ, Srivastava R, Bunsuz A, Borrega-Román L, Hompluem P, Cullum SA, Harwood CR, Koers EJ, Sykes DA, Styles IB, Veprintsev DB. Jiménez-Rosés M, et al. Among authors: bunsuz a. Pharmacol Res Perspect. 2022 Oct;10(5):e00994. doi: 10.1002/prp2.994. Pharmacol Res Perspect. 2022. PMID: 36029004 Free PMC article.