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

Figure 10.

Figure 10

Residue decomposition of the binding free energy interaction for the diverse ligand-Mpro protease complexes found active. (a) (−) epigallocatechin gallate; (b) amentoflavone; (c) vitexin-2-O-rhamnoside; (d) aloin; and (e) rhoifolin.