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Ligand interaction diagrams of inhibitors into the binding site of SARS-CoV-2 RNA-dependent-RNA-polymerase (RdRp). The inhibitors are (A) Remdesivir triphosphate (RTP), (B) Compound a2, and (C) Compound a1. The binding free energy (kcal/mol) for the protein-inhibitor complexes predicted by the MM/GBSA method.
