Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19.
Zhe LiChengkun WuYishui LiRunduo LiuKai LuRuibo WangJie LiuChunye GongCanqun YangXin WangChang-Guo ZhanHai-Bin LuoPublished in: Int. J. High Perform. Comput. Appl. (2023)