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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...
Tallennettuna:
| Päätekijä: | |
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| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
2012
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| Aiheet: | |
| Linkit: | 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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