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Additive empirical force field for hexopyranose monosaccharides

We present an all-atom additive empirical force field for the hexopyranose monosaccharide form of glucose and its diastereomers allose, altrose, galactose, gulose, idose, mannose, and talose. The model is developed to be consistent with the CHARMM all-atom biomolecular force fields, and the same par...

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書誌詳細
主要な著者: Guvench, Olgun, Greene, Shannon N., Kamath, Ganesh, Brady, John W., Venable, Richard M., Pastor, Richard W., MacKerell, Alexander D.
フォーマット: Artigo
言語:Inglês
出版事項: 2008
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC2882059/
https://ncbi.nlm.nih.gov/pubmed/18470966
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21004
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