Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19

Zhe Li, Chengkun Wu, Yishui Li, Runduo Liu, Kai Lu, Ruibo Wang, Jie Liu, Chunye Gong, Canqun Yang, Xin Wang, Chang-Guo Zhan, Hai-Bin Luo. Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19. IJHPCA, 37(1):45-57, 2023. [doi]

Abstract

Abstract is missing.