Identifying Inhibitor-SARS-CoV2-3CL<sup>pro</sup> Binding Mechanism Through Molecular Docking, GaMD Simulations, Correlation Network Analysis and MM-GBSA Calculations
The main protease of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), known as 3CL<sup>pro</sup>, is crucial in the virus’s life cycle and plays a pivotal role in COVID-19. Understanding how small molecules inhibit 3CL<sup>pro</sup>’s activity is vital for developing anti-COVID-19 t...
Guardado en:
| Autores principales: | , , , , |
|---|---|
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
MDPI AG
2025-02-01
|
| Colección: | Molecules |
| Materias: | |
| Acceso en línea: | https://www.mdpi.com/1420-3049/30/4/805 |
| Etiquetas: |
Sin Etiquetas, Sea el primero en etiquetar este registro!
|