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"Pseudosubstrate Envelope"/Free Energy Perturbation-Guided Design and Mechanistic Investigations of Benzothiazole HIV Capsid Modulators with High Ligand Efficiency.
Xu S, Wang S, Zhou Y, Foley N, Sun L, Walsham L, Tang K, Shi D, Shi X, Zhang Z, Jiang X, Gao S, Liu X, Pannecouque C, Goldstone DC, Dick A, Zhan P. Xu S, et al. Among authors: wang s. J Med Chem. 2024 Nov 14;67(21):19057-19076. doi: 10.1021/acs.jmedchem.4c01544. Epub 2024 Oct 17. J Med Chem. 2024. PMID: 39418501
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