Free energy perturbation (FEP)-guided scaffold hopping.
Wu D, Zheng X, Liu R, Li Z, Jiang Z, Zhou Q, Huang Y, Wu XN, Zhang C, Huang YY, Luo HB.
Wu D, et al. Among authors: wu xn.
Acta Pharm Sin B. 2022 Mar;12(3):1351-1362. doi: 10.1016/j.apsb.2021.09.027. Epub 2021 Sep 30.
Acta Pharm Sin B. 2022.
PMID: 35530128
Free PMC article.