Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 1238-1239 |
| Number of pages | 2 |
| Journal | Chemical Communications |
| Volume | 10 |
| Issue number | 10 |
| DOIs | |
| Publication status | Published - 21 May 2004 |
Research Groups and Themes
- Bristol BioDesign Institute
- Physical & Theoretical
Keywords
- Catalysis
- Molecular Conformation
- Chorismate Mutase
- synthetic biology
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