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(A) The binding affinities (Global energies, vdW, electrostatic interactions) of all the docked epitopes are given in the graph. (B) Plot of RMSD of the backbone structures of MHCI-peptides complexes after 20ns simulation. The RMSD graph of each complex is shown in different colors. The graph (along x-axis is number of residues, y-axis RMSD in nm) is showing the stable movement of all the complexes.
