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. 2014 Jun 12;10(7):2719–2728. doi: 10.1021/ct500504g

Figure 7.

Figure 7

Kullback–Leibler divergence DKL calculated using Pt(Ω|rHH) from WEUSMD (red) and aWEUSMD (blue) for (A) IS1 and (B) IS2 by eq 18 with respect to Pr(Ω|rHH) calculated from 2D-PMF in ref (35). Pt(Ω|rHH) is calculated from trajectories up to time t. Shown together are the exponential fits of DKL (dashed lines).