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. 2019 Nov 11;17:1396–1403. doi: 10.1016/j.csbj.2019.11.001

Fig. 7.

Fig. 7

Molecular dynamics simulations of a designed helical peptide in complex with the EGFR L2 domain. (A) Root mean square deviation (RMSD) of the complex Cα atoms as a function of simulation time. (B) Distance between the carboxyl of Glu5 and guanidine group of Arg353 as a function of simulation time. (C) Distance between the hydroxyl of Thr10 and amide of Gln384 as a function of simulation time. (D) Distance between the carboxyl of Glu9 and hydroxyl of Ser418 as a function of simulation time. Results from three independent trajectories are shown in different colors.