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CHARMM Additive All-Atom Force Field for Glycosidic Linkages in Carbohydrates Involving Furanoses

Presented is an extension of the CHARMM additive carbohydrate all-atom force field to enable modeling of polysaccharides containing furanose sugars. The new force field parameters encompass 1 ↔ 2, 1 → 3, 1 → 4 and 1 → 6 pyranose-furanose linkages and 2 → 1 and 2 → 6 furanose-furanose linkages, build...

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Main Authors: Raman, E. Prabhu, Guvench, Olgun, MacKerell, Alexander D.
Format: Artigo
Jezik:Inglês
Izdano: 2010
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC2958709/
https://ncbi.nlm.nih.gov/pubmed/20845956
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp105758h
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