Figure 6.
The atomistic fragment memories guide the folding of 1R69 towards a native-like state. (A): The total potential energy decreases as Q increases. (B): Free energy profiles of 1R69 as a function of Q using atomistic fragment memory (cyan) and without fragment memory (blue). (C): The fragment memory energy (Eq. (4)) decreases as Q increases. (D): Free energy profiles are shown of the segments as a function of the Q of the individual segments (red to blue) and the global Q (yellow) are shown.