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. 2014 Aug 1;141(5):055101. doi: 10.1063/1.4890656

FIG. 4.

FIG. 4.

A test to show the potential significance of the many-body effect: the calculated [Mg2+]-dependence of the folding free energies for BWYV11 (a) and T260 (b). Each plot contains four datasets in order to show the impact of the many-body effect and the effect of the conformational ensemble (for the intermediate state). The comparisons with experimental data suggest the importance of the many-body effect at high [Mg2+]. We show the dispersion for the ensemble-based results with the many-body effect. The dispersion is for the different sets of the conformational ensembles.