title: 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.
authors.affiliation: Graduate School of Pharmaceutical Sciences, Nagoya City University, 3-1 Tanabe-dori, Nagoya, Japan.
authors.forename: Sayoko
authors.initials: S
authors.lastname: Yamamoto
authors.forename: Ying
authors.initials: Y
authors.lastname: Zhang
authors.forename: Takumi
authors.initials: T
authors.lastname: Yamaguchi
authors.forename: Tomoshi
authors.initials: T
authors.lastname: Kameda
authors.forename: Koichi
authors.initials: K
authors.lastname: Kato
mesh_terms: D028581:Lanthanoid Series Elements / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D009844:Oligosaccharides / Q000737:chemistry*
chemical_list: D028581:Lanthanoid Series Elements; D009844:Oligosaccharides