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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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| 主要な著者: | , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2010
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| 主題: | |
| オンライン･アクセス: | 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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