Upgrading nirmatrelvir to inhibit SARS-CoV-2 Mpro via DeepFrag and free energy calculations
| Autor: | Tam, Nguyen Minh, Nguyen, Trung Hai, Pham, Minh Quan, Hong, Nam Dao, Tung, Nguyen Thanh, Vu, Van V., Quang, Duong Tuan, Ngo, Son Tung |
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| Zdroj: | In Journal of Molecular Graphics and Modelling November 2023 124 |
| Databáze: | ScienceDirect |
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