COVID-19 Research Paper Volume 13, Issue 5 pp 6258—6272

Screening potential FDA-approved inhibitors of the SARS-CoV-2 major protease 3CLpro through high-throughput virtual screening and molecular dynamics simulation

The variance contribution of the principal components and the PCA scatter plots generated along the projection of the first two eigenvectors (PC1 and PC2) in the space of the 3CLpro (A) and 3CLpro-Indinavir (B) systems, respectively.

Figure 5. The variance contribution of the principal components and the PCA scatter plots generated along the projection of the first two eigenvectors (PC1 and PC2) in the space of the 3CLpro (A) and 3CLpro-Indinavir (B) systems, respectively.