Loading...
Enzymatic Kinetic Isotope Effects from First-Principles Path Sampling Calculations
In this study, we develop and test a method to determine the rate of particle transfer and kinetic isotope effects in enzymatic reactions, specifically yeast alcohol dehydrogenase (YADH), from first-principles. Transition path sampling (TPS) and normal mode centroid dynamics (CMD) are used to simula...
Na minha lista:
| Udgivet i: | J Chem Theory Comput |
|---|---|
| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2016
|
| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4829465/ https://ncbi.nlm.nih.gov/pubmed/26949835 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b01169 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|