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>3D (a) and 2D (b) views of rutin interaction with 3CL protease.</div>

Cellular Microbiology

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Figure 4

Figure 4: 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 4 | 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 