Fig. 6 | Scientific Reports

Fig. 6

From: Identification of potential VP40 inhibitor of Marburg virus through molecular docking, pharmacokinetic analysis and molecular dynamics simulation

Fig. 6

(a) 2D projections of the principal eigenvectors (PC1 and PC2) of natural compound Procyanidin run1 (Violet), run2 (Magenta), and run3 (Green) from the initial position till 200 ns MD simulations. (b) Principal component analysis (PCA) and free energy landscape (FEL) models of the natural compound Procyanidin run1 (Violet), run2 (Magenta), and run3 (Green) from the initial position till 200 ns MD simulations.

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