Virtual Screening and Molecular Dynamics Simulation Targeting the ATP Domain of African Swine Fever Virus Type II DNA Topoisomerase
African Swine Fever Virus (ASFV) Topo II ATPase domain, resistant to conventional inhibitors (e.g., ICRF-187) due to M18/W19 steric clashes, was targeted via hierarchical virtual screening (Schrödinger) of the Chembridge library combined with MM/GBSA calculations. Five ligands (10012949, 40242484, 4...
Guardat en:
| Autors principals: | , , , , , , , |
|---|---|
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI AG
2025-05-01
|
| Col·lecció: | Viruses |
| Matèries: | |
| Accés en línia: | https://www.mdpi.com/1999-4915/17/5/681 |
| Etiquetes: |
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|