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. 2022 Sep 24;150:106125. doi: 10.1016/j.compbiomed.2022.106125

Fig. 1b.

Fig. 1b

Ligand interaction diagram of theaflavin digallate (ZINC ID ZINC000195838435) with main protease. The ligand interaction diagram depicts complex file at time 0 ns, i.e., at the start of the production run for molecular dynamics simulation.