Figure 1 | Scientific Reports

Figure 1

From: Structural Properties of Human IAPP Dimer in Membrane Environment Studied by All-Atom Molecular Dynamics Simulations

Figure 1

Free energy profiles as function of collective variables. (A) Q value for segment 8–16 and 27–35 on the two peptides; (B) β-score of segment 8–16; (C) β-score of segment 27–35; (D) β-score of segment 18–29; (E) α-score of segment 8–26 of chain A; (F) α-score of segment 8–26 of chain B. The error bars corresponding to the free energy deviation over the last 300 ns of simulations, which were calculated by following the method in ref. 72.

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