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- W2464058372 abstract "Their inherent flexibility, combined with the multitude of linkages and functionalities possible, provides a fundamental challenge in the development of carbohydrate force fields for modeling oligosaccharides. Validation of carbohydrate force fields has been hampered by both the paucity of structural data for all but the simplest glycans, but the development has rapidly progressed due to advancements in ab initio methods. Condensed-phase properties of monosaccharides have been accurately modeled with current methodology, but in order to determine the ability of these carbohydrate force fields to accurately describe oligosaccharides, a thorough systematic analysis remains to be performed." @default.
- W2464058372 created "2016-07-22" @default.
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- W2464058372 date "2006-03-09" @default.
- W2464058372 modified "2023-10-16" @default.
- W2464058372 title "Incorporation of Carbohydrates into Macromolecular Force Fields: Development and Validation" @default.
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- W2464058372 doi "https://doi.org/10.1021/bk-2006-0930.ch013" @default.
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