In Silico Identification of New Anti-SARS-CoV-2 Main Protease (M^pro) Molecules with Pharmacokinetic Properties from Natural Sources Using Molecular Dynamics (MD) Simulations and Hierarchical Virtual Screening

Figure 13

2D projection of trajectory of four eigenvectors or PCs. The PCs define the relative contribution of x, y, and z component of each c-alpha atom to the interrelated mode of motion conforming to that component.