Figure 3 — 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 3.The first 10 main residues in 3CL^pro that contribute to the binding free energy of 3CL^pro and Indinavir. The ordinate indicates the value of binding free energy, and the abscissa indicates the residue.