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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...
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| Hauptverfasser: | , , , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2009
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| Schlagworte: | |
| Online Zugang: | 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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