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QM/MM Simulations of Enzymatic Hydrolysis of Cellulose: Probing the Viability of an Endocyclic Mechanism for an Inverting Cellulase

[Image: see text] Glycoside hydrolases (GH) cleave carbohydrate glycosidic bonds and play pivotal roles in living organisms and in many industrial processes. Unlike acid-catalyzed hydrolysis of carbohydrates in solution, which can occur either via cyclic or acyclic oxocarbenium-like transition state...

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Detalles Bibliográficos
Autores principales:	Pereira, Caroline S., Silveira, Rodrigo L., Skaf, Munir S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154253/ https://www.ncbi.nlm.nih.gov/pubmed/33760586 http://dx.doi.org/10.1021/acs.jcim.0c01380

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