Journal
CHEMICAL COMMUNICATIONS
Volume 48, Issue 39, Pages 4752-4754Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2cc30353a
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Funding
- KAKENHI of MEXT [20107004, 21370050]
- CREST of JST
- Grants-in-Aid for Scientific Research [21370050, 20107004, 23700359] Funding Source: KAKEN
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A novel methodology is presented for evaluating a dynamic ensemble of oligosaccharide conformations by lanthanide-assisted NMR spectroscopy combined with molecular dynamics (MD) simulations. The results obtained using the GM3 trisaccharide demonstrated that pseudocontact shift measurements offer a valuable experimental tool for the validation of MD simulations of highly flexible biomolecules.
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