Research Article

In Silico Screening, Alanine Mutation, and DFT Approaches for Identification of NS2B/NS3 Protease Inhibitors

Figure 4

A close-up view representation of docked complexes from MM-GBSA analysis. The ligand maintains the direct contact with Phe130, Gly153, Gly151, and Asp75 indicated in the circled regions and zoomed on with their nearest residues indicated.