Alchemical binding free energy calculations in AMBER20: Advances and best practices for drug discovery

Tai Sung Lee, Bryce K. Allen, Timothy J. Giese, Zhenyu Guo, Pengfei Li, Charles Lin, T. Dwight McGee, David A. Pearlman, Brian K. Radak, Yujun Tao, Hsu Chun Tsai, Huafeng Xu, Woody Sherman, Darrin M. York

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