Analysis of kinetic isotope effects in enzymatic carbon-hydrogen cleavage reactions.

Abstract excerpt

The instanton approach, as previously applied to proton tunneling in molecular systems, is adapted to carbon-hydrogen bond cleavage catalyzed by enzymes. To compensate for the complexity of enzymatic reactions, simplifications are introduced based on the observation in numerous X-ray measurements that enzymes tend to form compact structures, which is assumed to have led toward optimization of specific parameters...

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