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Communication
Chem. Commun., 2005, 5068 - 5070, DOI: 10.1039/b508181e
Multiple high-level QM/MM reaction paths demonstrate transition-state stabilization in chorismate mutase: correlation of barrier height with transition-state stabilization
Frederik Claeyssens, Kara E. Ranaghan, Frederick R. Manby, Jeremy N. Harvey and Adrian J. Mulholland
Multiple profiles for the reaction from chorismate to prephenate in the enzyme chorismate mutase calculated with hybrid density functional combined quantum mechanics/molecular mechanics methods (B3LYP/6-31G(d)–CHARMM27) agree well with experiment, and provide direct evidence of transition-state stabilization by this important enzyme, which is at the centre of current debates about the nature of enzyme catalysis.
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