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. Author manuscript; available in PMC: 2008 Dec 11.
Published in final edited form as: J Chem Theory Comput. 2007 Mar;3(2):390–406. doi: 10.1021/ct600240y

Figure 4.

Figure 4

Free energy profile from Ayala-Schlegel MEP optimizations by the QM/MM-MFEP method for the proton transfer reaction in TIM. The X-axis is defined in the same way as in Figure 2.