Computational characterization of enzyme-bound thiamin diphosphate reveals a surprisingly stable tricyclic state: implications for catalysis

Thiamin diphosphate (ThDP)-dependent enzymes constitute a large class of enzymes that catalyze a diverse range of reactions. Many are involved in stereospecific carbon–carbon bond formation and, consequently, have found increasing interest and utility as chiral catalysts in various biocatalytic appl...

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Bibliographic Details
Main Authors: Ferran Planas, Michael J. McLeish, Fahmi Himo
Format: Article
Language:English
Published: Beilstein-Institut 2019-01-01
Series:Beilstein Journal of Organic Chemistry
Subjects:
DFT
Online Access:https://doi.org/10.3762/bjoc.15.15

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