Skip to main content
. 2020 Oct 27;16(11):6795–6813. doi: 10.1021/acs.jctc.0c00676

Figure 2.

Figure 2

Values of the mapping entropy Σ [in kJ mol–1 K–1] for mappings connecting two optimal solutions. In each plot, one per protein under examination, the two lowest-Σ mappings are taken as initial and final end points (black dots) for paths constructed by swapping pairs of atoms between them (blue dots). For each protein, 100 independent paths at the given N = Nαβ were constructed, and the mapping entropy of each intermediate point was computed. In each plot, horizontal lines represent the mean (red) and minimum (green) values of Smap obtained from the corresponding distributions of random mappings presented in Figure 1.