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. Author manuscript; available in PMC: 2010 Feb 25.
Published in final edited form as: J Am Chem Soc. 2009 Feb 25;131(7):2687–2698. doi: 10.1021/ja8087423

Figure 5.

Figure 5

Potentials of Mean Force obtained for the pro-R proton transfer from the C3 atom of the substrate to Pro1 (R1) and from Pro1 to C5 (R2). These PMFs do not include the effect of quantizing the vibrations.