Abstract
A flexible AM1/CHARMM treatment finds two distinct mechanistic pathways across the megadimensional energy hypersurface computed for lactate dehydrogenase catalysed reduction of pyruvate to lactate: these differ in the timing of the hydride transfer and proton transfer components of the reaction.
| Original language | English |
|---|---|
| Pages (from-to) | 1843-1844 |
| Number of pages | 2 |
| Journal | Chemical Communications |
| Volume | 2000 |
| Issue number | 19 |
| Early online date | 11 Sept 2000 |
| DOIs | |
| Publication status | Published - 7 Oct 2000 |
ASJC Scopus subject areas
- Catalysis
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- General Chemistry
- Surfaces, Coatings and Films
- Metals and Alloys
- Materials Chemistry