An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations

Yishui Li, Runduo Liu, Jie Liu 0002, Haibin Luo, Chengkun Wu, Zhe Li. An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations. Journal of Chemical Information and Computer Sciences, 63(2):561-570, January 2023. [doi]

Abstract

Abstract is missing.