Screening Power of End-Point Free-Energy Calculations in Cucurbituril Host-Guest Systems

Xiao Liu, Lei Zheng, Chu Qin, Yang Li, John Z. H. Zhang, Zhaoxi Sun. Screening Power of End-Point Free-Energy Calculations in Cucurbituril Host-Guest Systems. Journal of Chemical Information and Computer Sciences, 63(21):6938-6946, November 2023. [doi]

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