Research Article
Methicillin-Resistant Staphylococcus aureus: Docking-Based Virtual Screening and Molecular Dynamics Simulations to Identify Potential Penicillin-Binding Protein 2a Inhibitors from Natural Flavonoids
Table 3
Schrödinger Maestro docking score (kcal/mol) of top-ranked flavonoids based on the AutoDock tool, against SauPBP2a active site (PDB ID: 1MWT; chain B).
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SauPBP2a, Staphylococcus aureus penicillin-binding protein 2a. |