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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Bibliografiske detaljer
Main Authors: Guvench, Olgun, Greene, Shannon N., Kamath, Ganesh, Brady, John W., Venable, Richard M., Pastor, Richard W., MacKerell, Alexander D.
Format: Artigo
Sprog:Inglês
Udgivet: 2008
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Article
Online adgang: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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