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Collective post-MD simulation analysis of the protein–ligand complexes properties (RMSD, rGyr, MolSA, SASA, and PSA) of the two TP nucleotide analogues, forodesine-TP and riboprine-TP, and the two reference TP nucleotide analogue drugs, GS-443902 and NHC-TP, respectively, with: (A) SARS-CoV-2 RdRp “nsp12” enzyme cocrystallized with its protein cofactors nsp7 and nsp8 (PDB ID: 7BV2). (B) SARS-CoV-2 ExoN “nsp14” enzyme cocrystallized with its protein cofactor nsp10 (PDB ID: 7MC6).
