Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
Lee, Tai-Sung, Allen, Bryce K., Giese, Timothy J., Guo, Zhenyu, Li, Pengfei, Lin, Charles, McGee, T. Dwight, Pearlman, David A., Radak, Brian K., Tao, Yujun, Tsai, Hsu-Chun, Xu, Huafeng, Sherman, WoodJournal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.0c00613
Date:
September, 2020
File:
PDF, 3.51 MB
2020
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