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. 2022 Mar 30;7(14):12186–12192. doi: 10.1021/acsomega.2c00566

Figure 2.

Figure 2

(a) A typical example of a replica walking through λ space starting from a replica where the physical model is initially biased toward the folded SAA structure. While the system walks between a replica with bias toward the folded structure (upper half) and a replica with bias toward the fibril structure (lower half), its configuration changes accordingly. This can be seen in (b), where we show the corresponding time evolution of the RMSD to the native structure (in magenta) and the fibril structure (in green).