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CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates
Presented is an extension of the CHARMM additive all-atom carbohydrate force field to enable the modeling of phosphate and sulfate linked to carbohydrates. The parameters are developed in a hierarchical fashion using model compounds containing the key atoms in the full carbohydrates. Target data for...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2011
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3367516/ https://ncbi.nlm.nih.gov/pubmed/22685386 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200792v |
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