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. 2020 Oct 20;132:110914. doi: 10.1016/j.biopha.2020.110914

Fig. 5.

Fig. 5

Molecular dynamics simulation analysis of MHCI-restricted epitope complexes and MHC II-epitope complexes. The MHCI-restricted epitope (78SSPDDQIGY86) is complexed to either HLA-A*03:01 or HLA-B*35:01 and the MHCII-restricted epitopes (305AQFAPSASAFFGMSR319, 304IAQFAPSASAFFGMS318 and 302PQIAQFAPSASAFFG316) are complexed to HLA-DRB1*09:01. (A, B) RMSD. (C, D) number of hydrogen bonds. (E, F) Evolution of the minimum distance between epitope and HLA.