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. Author manuscript; available in PMC: 2015 Jun 22.
Published in final edited form as: J Phys Chem B. 2005 May 12;109(18):8551–8556. doi: 10.1021/jp051184c

Figure 5.

Figure 5

Computed free-energy profiles (with quantized vibration contributions included) along the reaction coordinate for the ecDHFR catalyzed reaction at 5 and 45 °C. The same profiles for the gas-phase hydrogen transfer reaction of CH3 + H2 are shown for comparison, where the reaction coordinate is distance along the mass-scaled minimum-energy path (scaled to mass of 1 amu). All curves have been normalized at the top to emphasize the difference in the barrier shape as temperature changes.