Figure 7 — Screening potential FDA-approved inhibitors of the SARS-CoV-2 major protease 3CLpro through high-throughput virtual screening and molecular dynamics simulation

Research Paper|Volume 13, Issue 5|pp. 6258–6272

Screening potential FDA-approved inhibitors of the SARS-CoV-2 major protease 3CL^pro through high-throughput virtual screening and molecular dynamics simulation

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Figure 7.The RINs results of the residues-residues around the catalytic dyads His41-Cys145 of the 3CL^pro system and the 3CL^pro-Indinavir system, respectively. Among them, the red line represents the H-bond interaction, the black line represents the VDW interaction, and the green line represents the Pi-Pi interaction.