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The interaction pattern of the best six phytochemical structures with the active site of the best representative conformation from the cluster analysis of SARS-CoV-2 3CLpro MDS trajectories. The residues of the 3CLpro are shown in blue sticks labelled by its one-letter code. The ligands are represented in yellow sticks with cyan aromatic rings. H-bonds are shown in blue lines while hydrophobic contacts in dashed-gray lines.
