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
https://www.sciencedirect.com/science/article/abs/pii/S109332632300133X

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