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- Jansson, Jennie L. M., et al.
(författare)
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Conformational Dynamics of Oligosaccharides : NMR Techniques and Computer Simulations
- 2006
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Ingår i: NMR Spectroscopy and Computer Modeling of Carbohydrates. - Washington, DC : American Chemical Society (ACS). - 9780841239531 ; , s. 20-39
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Bokkapitel (refereegranskat)abstract
- NMR spectroscopy techniques in conjunction with molecular dynamics simulations facilitate description of conformation and dynamics of oligosaccharides in solution. Herein we describe approaches based on hetero-nuclear carbon-proton spin-spin coupling constants useful for assessing conformational preferences at the glycosidic linkage, exemplified for á-cyclodextrin. Furthermore, we utilize hetero-nuclear carbon-proton residual dipolar couplings together with molecular dynamics simulations in the analysis of the conformational dynamics of the milk oligosaccharide Lacto-N-neotetraose.
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