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. 2010 Jul 21;99(2):600–608. doi: 10.1016/j.bpj.2010.04.041

Figure 3.

Figure 3

(a) Normalized correlation functions of Q, CQ(t), shown on a log-log plot (time in reduced units) for different values of Q. Because a single exponential did not always fit well, each curve was fit to the sum of three exponentials to obtain an average decay time τQ. KQ = 50 was used and the temperature was the folding temperature of the unbiased simulations Tf0. The characteristic decay time τQ is used to calculate the diffusion coefficient D. (b)The dispersion of the reaction coordinate ΔQ2 as a function of the reaction coordinate Q (left axis), with and without energetic frustration. The inverse correlation time of Q (1/τQ) shown as a function of Q (right axis), with and without the frustration term. Calculations are shown at Tf of each εNC.