Figure 3.
Molecular dynamics simulation of MTase from SARS-CoV-2. RMSD of the Cα backbone of apo-MTase and its complexes regarding time (100 ns), RMSD of drugs over 100 ns, RMSF of Cα atoms of the MTase complexes over 100 ns. The apo-MTase (black) complexed with Amentoflavone (red), Baicalin (blue), Diadizin (Magenta) and Luteoloside (green) are represented.