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]

Authors

Zhe Li

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Chengkun Wu

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Yishui Li

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Runduo Liu

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Kai Lu

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Ruibo Wang

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Jie Liu

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Chunye Gong

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Canqun Yang

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Xin Wang

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Chang-Guo Zhan

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Hai-Bin Luo

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