Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
AMBER20中的炼金术结合自由能计算:药物发现的进展和最佳实践
期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.0c00613
Lee, Tai-Sung; Allen, Bryce K; Giese, Timothy J; Guo, Zhenyu; Li, Pengfei; Lin, Charles; McGee, T Dwight Jr; Pearlman, David A; Radak, Brian K; Tao, Yujun; Tsai, Hsu-Chun; Xu, Huafeng; Sherman, Woody; York, Darrin M