Novel Concepts for Drug Hypersensitivity Based on the Use of Long-Time Scale Molecular Dynamic Simulation

Figure 2

The RMSD values for the self-peptides. (a) RMSD values were calculated for Cα atoms of the peptide during the MD simulations. (b) The RMSD values were calculated per residue for the Cα atoms and averaged over 500 ns. Peptides VF9, IY9, VW9, and LF9 are shown in purple, green, blue, and magenta, respectively.

(a)

(b)