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. Author manuscript; available in PMC: 2017 Jun 1.
Published in final edited form as: J Mol Graph Model. 2016 Apr 27;67:33–43. doi: 10.1016/j.jmgm.2016.04.006

Figure 7.

Figure 7

Free energy profiles of the two pathways with the lowest barriers for (a.) Thr-In and (b.) Thr-Out simulations, as revealed by zero-temperature string calculations (left side). Overlay of these pathways on selected two-dimensional PMFs (middle and right). The sequential and concurrent pathways are shown in black and orange respectively.