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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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Detalhes bibliográficos
Publicado no:PLoS Comput Biol
Main Authors: Graf, Michael M. H., Zhixiong, Lin, Bren, Urban, Haltrich, Dietmar, van Gunsteren, Wilfred F., Oostenbrink, Chris
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4263366/
https://ncbi.nlm.nih.gov/pubmed/25500811
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1003995
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