The Solvent Accessible Surface Area (SASA) analysis ( Figure 6 E) shows a decreasing trend from around 16,000 Å 2 to ~14,500 Å 2 over the 100 ns, indicating reduced surface exposure and further evidence of structural compactness induced by ligand binding.
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Network Pharmacology Guided Drug Repurposing and Molecular Modeling Identify Sulfasalazine as a Potential OXA-23 β-Lactamase in Carbapenem-Resistant <i>Acinetobacter baumannii</i>.
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