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A Theoretical Study of the Benzoylformate Decarboxylase Reaction Mechanism
Density functional theory calculations are used to investigate the detailed reaction mechanism of benzoylformate decarboxylase, a thiamin diphosphate (ThDP)-dependent enzyme that catalyzes the nonoxidative decarboxylation of benzoylformate yielding benzaldehyde and carbon dioxide. A large model of t...
Autores principales: | Planas, Ferran, Sheng, Xiang, McLeish, Michael J., Himo, Fahmi |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Frontiers Media S.A.
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6028569/ https://www.ncbi.nlm.nih.gov/pubmed/29998094 http://dx.doi.org/10.3389/fchem.2018.00205 |
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