Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations |
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| Authors: | Yamamoto Sayoko Zhang Ying Yamaguchi Takumi Kameda Tomoshi Kato Koichi |
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| Institution: | Graduate School of Pharmaceutical Sciences, Nagoya City University, 3-1 Tanabe-dori, Nagoya, Japan. |
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| 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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