Comparing Hydrolysis and Transglycosylation Reactions Catalyzed by Thermus thermophilus β-Glycosidase. A Combined MD and QM/MM Study

Comparing Hydrolysis and Transglycosylation Reactions Catalyzed by Thermus thermophilus β-Glycosidase. A Combined MD and QM/MM Study

The synthesis of oligosaccharides and other carbohydrate derivatives is of relevance for the advancement of glycosciences both at the fundamental and applied level. For many years, glycosyl hydrolases (GHs) have been explored to catalyze the synthesis of glycosidic bonds. In particular, retaining GH...

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Bibliographic Details
Main Authors: Sonia Romero-Téllez, José M. Lluch, Àngels González-Lafont, Laura Masgrau
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-04-01
Series:Frontiers in Chemistry
Subjects:
glycosylhydrolase
transglycosylation
QM/MM
glycans
hydrolysis
glycosyl-enzyme complex
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00200/full

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