Fig. 9

(A) Principal component analysis (PCA) projection of the TLR4-vaccine complex along PC1 and PC2 during the 100 ns MD simulation. Three distinct conformational states (A: 28.3 ns, B: 49.2 ns, C: 94.8 ns) are indicated. (B) Structural superposition of the complex at 0 ns (blue) and 100 ns (red), highlighting the overall structural preservation, with minor adjustments localized to the vaccine region.