Figure 9 | Scientific Reports

Figure 9

From: Identification of new pharmacophore against SARS-CoV-2 spike protein by multi-fold computational and biochemical techniques

Figure 9

Flipping over the orientation of PC1 and PC2 components in the PCA analysis for the spike RBD domain in the free state (APO), activated state (6M0J), and systems with attached selected inhibitors (C3 and C6E) was conducted. Color coding was utilized to represent the density of frames over the simulation from blue, green, and yellow, where yellow means high density. The clusters within each system were labeled A, B, and C, and the simulation duration for which the system remained in each cluster was represented as a percentage.

Back to article page