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. 2021 Nov 22;61(12):6094–6106. doi: 10.1021/acs.jcim.1c00951

Figure 7.

Figure 7

Spatial representation of the complex Mpro-Vitexin-2-O-rhamnoside in its last snapshot of the 1.5 μs molecular dynamics. (a) Ligand bound to the binding pocket; (b) spatial distribution of the most important residues that interact with the ligand; (c) ligand–protease hydrogen bonds in yellow.