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Computation of kinetic isotope effects for enzymatic reactions
We describe a computational approach, incorporating quantum mechanics into enzyme kinetics modeling with a special emphasis on computation of kinetic isotope effects. Two aspects are highlighted: (1) the potential energy surface is represented by a combined quantum mechanical and molecular mechanica...
Uloženo v:
| Médium: | Článek |
|---|---|
| Jazyk: | en |
| Vydáno: |
2012
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3749886/ https://ncbi.nlm.nih.gov/pubmed/23976893 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11426-011-4433-5 |
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