Pyranose dehydrogenase ligand promiscuity: a generalized approach to simulate monosaccharide solvation, binding, and product formation.

The flavoenzyme pyranose dehydrogenase (PDH) from the litter decomposing fungus Agaricus meleagris oxidizes many different carbohydrates occurring during lignin degradation. This promiscuous substrate specificity makes PDH a promising catalyst for bioelectrochemical applications. A generalized appro...

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Bibliographic Details
Main Authors: Michael M H Graf, Lin Zhixiong, Urban Bren, Dietmar Haltrich, Wilfred F van Gunsteren, Chris Oostenbrink
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2014-12-01
Series:PLoS Computational Biology
Online Access:https://doi.org/10.1371/journal.pcbi.1003995
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