Figure 13
From: An in silico deep learning approach to multi-epitope vaccine design: a SARS-CoV-2 case study
The molecular dynamics simulation of the vaccine-TLR4 docked complex. (a) Main-chain deformability simulation, the hinges are regions with high deformability. (b) B-factor values calculated by normal mode analysis, quantifying the uncertainty of each atom. (c) The eigenvalue of the docked complex, showing the energy required to deform the structure. (d) The covariance matrix between pairs of residues (red: correlated, white: uncorrelated, blue: anti-correlated). (e) The elastic network model, suggesting the connection between atoms and springs. The springs are more rigid if their greys are darker.
