Molecular Docking, Dynamics Simulations, ADMET, and DFT Calculations: Combined <i>In Silico</i> Approach to Screen Natural Inhibitors of 3CL and PL Proteases of SARS-CoV-2

<div>Docking score of ligands with 3CL protease.</div>

Cellular Microbiology

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Figure 2

Figure 2: Molecular Docking, Dynamics Simulations, ADMET, and DFT Calculations: Combined <i>In Silico</i> Approach to Screen Natural Inhibitors of 3CL and PL Proteases of SARS-CoV-2 

Figure 2 | Molecular Docking, Dynamics Simulations, ADMET, and DFT Calculations: Combined In Silico Approach to Screen Natural Inhibitors of 3CL and PL Proteases of SARS-CoV-2 