Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling

Haohao Fu, Christophe Chipot, Xueguang Shao, Wensheng Cai. Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling. Journal of Chemical Information and Computer Sciences, 63(8):2512-2519, April 2023. [doi]

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