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CHARMM Additive All-Atom Force Field for Aldopentofuranoses, Methyl-Aldopentofuranosides and Fructofuranose

An additive all-atom empirical force field for aldopentofuranoses, methyl-aldopentofuranosides (Me-aldopentofuranosides) and fructofuranose carbohydrates, compatible with existing CHARMM carbohydrate parameters, is presented. Building on existing parameters transferred from cyclic ethers and hexopyr...

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Autores principales: Hatcher, Elizabeth, Guvench, Olgun, MacKerell, Alexander D.
Formato: Artigo
Lenguaje:Inglês
Publicado: 2009
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC2741538/
https://ncbi.nlm.nih.gov/pubmed/19694450
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp905496e
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