Upgrading nirmatrelvir to inhibit SARS-CoV-2 Mpro via DeepFrag and free energy calculations

Authors

Nguyen Minh Tam,Trung Hai Nguyen, Minh Quan Pham, Nam Dao Hong, Nguyen Thanh Tung, Van V. Vu h, Duong Tuan Quang, Son Tung Ngo

Publication year

2023

Index (WoS/Scopus)

WoS

Publisher

Elsevier

Journal

Journal of Molecular Graphics and Modelling

Link

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