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. Author manuscript; available in PMC: 2013 Mar 7.
Published in final edited form as: J Phys Chem B. 2012 Feb 22;116(9):2891–2904. doi: 10.1021/jp2068123

Figure 8. MI matrix for discretized KB98.

Figure 8

The pairwise mutual information terms between all pairs of degrees of freedom (DOF) in (A) bound or (B) unbound KB98 are show in the lower triangles. The upper triangles indicate the terms that were chosen to be included in the second-order MIST approximation to −TS°, according to Eq. (7). All values are reported in kcal/mol. Numbering of DOF corresponds the labels in Panel A of Figure 5.