Issue 39, 2012

Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations

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.

Graphical abstract: Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations

Supplementary files

Article information

Article type
Communication
Submitted
16 Jan 2012
Accepted
19 Mar 2012
First published
20 Mar 2012

Chem. Commun., 2012,48, 4752-4754

Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations

S. Yamamoto, Y. Zhang, T. Yamaguchi, T. Kameda and K. Kato, Chem. Commun., 2012, 48, 4752 DOI: 10.1039/C2CC30353A

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