Modeling of the Reaction Mechanism of Enzymatic Radical C–C Coupling by Benzylsuccinate Synthase

Molecular modeling techniques and density functional theory calculations were performed to study the mechanism of enzymatic radical C–C coupling catalyzed by benzylsuccinate synthase (BSS). BSS has been identified as a glycyl radical enzyme that catalyzes the enantiospecific fumarate addition to tol...

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Bibliographic Details
Main Authors: Maciej Szaleniec, Johann Heider
Format: Article
Language:English
Published: MDPI AG 2016-04-01
Series:International Journal of Molecular Sciences
Subjects:
DFT
Online Access:http://www.mdpi.com/1422-0067/17/4/514