Research Article
A Computational Study on Selected Alkaloids as SARS-CoV-2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics Simulations
Figure 1
The crystal structure of main protease (Mpro) of SARS-CoV-2 at 2.00 Å resolution (PDB ID: 6M03). Total structure weight: 33.83 kDa, atom count: 2454, modelled residue count: 306, deposited residue count: 306, 3C like unique protein chain.