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CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

We present an extension of the CHARMM hexopyranose monosaccharide additive all-atom force field to enable modeling of glycosidic-linked hexopyranose polysaccharides. The new force field parameters encompass 1→1, 1→2, 1→3, 1→4, and 1→6 hexopyranose glycosidic linkages, as well as O-methylation at the...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Guvench, Olgun, Hatcher, Elizabeth R., Venable, Richard M., Pastor, Richard W., MacKerell, Alexander D.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2009
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC2757763/
https://ncbi.nlm.nih.gov/pubmed/20161005
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct900242e
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