A QM/MM Metadynamics Study of the Direct Decarboxylation Mechanism for Orotidine-5'-monophosphate Decarboxylase using Two Different QM Regions: Acceleration too Small to Explain Rate of Enzyme Catalysis

Despite decades of study, the mechanism by which orotidine-5'-monophosphate decarboxylase (ODCase) catalyzes the decarboxylation of orotidine monophosphate remains unresolved. A computational investigation of the direct decarboxylation mechanism has been performed using mixed quantum mechanical...

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Hauptverfasser: Stanton, Courtney, Kuo, I-Feng W., Mundy, Christopher J., Laino, Teodoro, Houk, K. N.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2007
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Article
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3163499/
https://ncbi.nlm.nih.gov/pubmed/17927240
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp074858n
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