doi: 10.1039/c2cc30353a.
Epub 2012 Apr 4.
Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations
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- PMID: 22472911
- DOI: 10.1039/c2cc30353a
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Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations
Chem Commun (Camb).
.
Abstract
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.
This journal is © The Royal Society of Chemistry 2012
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