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Small Temperature Dependence of the Kinetic Isotope Effect for the Hydride Transfer Reaction Catalyzed by Escherichia coli Dihydrofolate Reductase

The H/D primary kinetic isotope effect (KIE) for the hydride transfer reaction catalyzed by Escherichia coli dihydrofolate reductase (ecDHFR) is calculated as a function of temperature employing ensemble-averaged variational transition-state theory with multidimensional tunneling. The calculated KIE...

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Pubblicato in:J Phys Chem B
Autori principali: Pu, Jingzhi, Ma, Shuhua, Gao, Jiali, Truhlar, Donald G.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2005
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4476250/
https://ncbi.nlm.nih.gov/pubmed/16852008
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp051184c
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