DOI: 10.1039/d3ob01153d ISSN: 1477-0520
Conformational flexibility of the disaccharide β-l -Fucp-(1→4)-α-d -Glcp-OMe as deduced from NMR spectroscopy experiments and computer simulations
Wojciech Plazinski, Thibault Angles d'Ortoli, Göran Widmalm - Organic Chemistry
- Physical and Theoretical Chemistry
- Biochemistry
Quantum mechanics methodology was used to calculate solution-state NMR observables such as transglycosidic 3JCH coupling constants, and 1H and 13C NMR chemical shifts in excellent agreement with experimental data for a flexible disaccharide.