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. 2012 May 16;48(39):4752-4.
doi: 10.1039/c2cc30353a. Epub 2012 Apr 4.

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

Sayoko Yamamoto  1 , Ying Zhang, Takumi Yamaguchi, Tomoshi Kameda, Koichi Kato
Affiliations

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

Sayoko Yamamoto et al. 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.

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