Journal
CHEMICAL COMMUNICATIONS
Volume -, Issue 10, Pages 1238-1239Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b402388a
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- Engineering and Physical Sciences Research Council [GR/R86119/01] Funding Source: researchfish
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The controversial 'near attack conformation' (NAC) effect in the important model enzyme chorismate mutase is calculated to be 3.8-4.6 kcal mol(-1) by QM/MM free energy perturbation molecular dynamics methods, showing that the NAC effect by itself does not account for catalysis in this enzyme.
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