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Fig. 6 | BMC Bioinformatics

Fig. 6

From: Immunoinformatics-aided design of a new multi-epitope vaccine adjuvanted with domain 4 of pneumolysin against Streptococcus pneumoniae strains

Fig. 6

The results of MD simulation of the vaccine-TLR4 docked complex. A RMSD values for the vaccine-receptor complex during a period of 20 ns. The complex became stable after 6 ns of MD simulation, which further confirmed the interaction between the vaccine and TLR4. B and C show the RMSF of all the residues of construct and TLR4 ECD, respectively. Most of the receptor residues underwent small fluctuations. Two regions of the vaccine indicated relatively high fluctuations, showing relatively high flexibility

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