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. 2021 Dec 29;142:105183. doi: 10.1016/j.compbiomed.2021.105183

Fig. 2.

Fig. 2

The docking poses of (A) velpatasvir, (B) glecaprevir, (C) grazoprevir, (D) baloxavir marboxil, (E) danoprevir, (F) nelfinavir, and (G) indinavir with Mpro before (t = 0 ns) and after (t = 100 ns) the MD runs of corresponding complexes. For every complex, the interacting amino acids are also denoted.