Evaluation of coarse-grained mapping schemes for polysaccharide chains in cellulose

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Evaluation of coarse-grained mapping schemes for polysaccharide chains in cellulose.

A fundamental understanding of the intermolecular forces that bind polysaccharide chains together in cellulose is crucial for designing efficient methods to overcome the recalcitrance of lignocellulosic biomass to hydrolysis. Because the characteristic time and length scales for the degradation of cellulose by enzymatic hydrolysis or chemical pretreatment span orders of magnitude, it is importa...

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ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2013

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.4808025