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. Author manuscript; available in PMC: 2012 Dec 29.
Published in final edited form as: J Phys Chem B. 2011 Nov 15;115(51):15147–15158. doi: 10.1021/jp207876k

Figure 7.

Figure 7

The chemical barrier to reaction along the free energy path of the conformational transformation in Figure 6b. The reaction proceeds from right (Lactate) to left (Pyruvate). The lowest chemical barrier is obtained at the end point high free energy (rare) conformations. The highest barrier to reaction occurs at the lowest free energy conformation – the minimum in Figure 5b.