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Lowest-energy docked poses of (E)-β-farnesene and (E,E)-α-farnesene with the SARS-CoV-2 main protease (PDB: 6LU7). (A) Ribbon structure of the enzyme and (E)-β-farnesene. (B) Solid structure of the enzyme showing (E)-β-farnesene in the binding cleft. (C) Amino acid residues in proximity to the docked (E)-β-farnesene. (D) Lowest-energy docked pose of (E,E)-α-farnesene in the enzyme binding site.
