Fig. 8 | Scientific Reports

Fig. 8

From: Bioinformatics analysis to design a multi-epitope mRNA vaccine against S. agalactiae exploiting pathogenic proteins

Fig. 8

Molecular dynamics simulation study. (A) The RMSD profile of TLR4 backbone in complex with vaccine as an index of simulation process (B) The RMSF profile of TLR4 structure in complex with vaccine as an index of simulation process. (C) The Rg profile of TLR4 structure in complex with vaccine as an index of simulation time. (D) The visualized interactions in 2D structures between TLR4 and vaccine using Ligplot+ at the end of simulation time. (E) The obtained Gibbs free energy landscape plot during 100 ns MD simulations for the TLR4 backbone in a complex with vaccine. The contour map with a black color indicates a lower energy and a light orange color indicates a higher energy.

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