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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: | , , |
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Formato: | Artigo |
Lenguaje: | Inglês |
Publicado: |
2009
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Materias: | |
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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