Theoretical insights into the binding interaction of Nirmatrelvir with SARS-CoV-2 Mpro mutants (C145A and C145S): MD simulations and binding free-energy calculation to understand drug resistance.
| Autor: | Purohit, Priyanka, Panda, Madhusmita, Muya, Jules Tshishimbi, Bandyopadhyay, Pradipta, Meher, Biswa Ranjan |
|---|---|
| Zdroj: | Journal of Biomolecular Structure & Dynamics; Oct2024, Vol. 42 Issue 17, p8865-8884, 20p |
| Databáze: | Complementary Index |
| Externí odkaz: |
|