Role of Water-Sugar Interactions

Consistent with earlier NMR data is the recent evidence from solvated MD simulations that sugars may adopt stacked conformations in solution, thus 

The computational method selected for use in carbohydrate conformational analysis depends on the data amount available and accuracy and on the project goal to find a single conformation that satisfies the experimental data or to generate a statistically accurate ensemble of conformations. Advances in 

NMR hardware and pulse sequences have made it possible to detect and quantify previously unobservable NOEs and long-range heteronuclear coupling constants. A potentially highly useful innovation has been the detection of NOEs involving hydroxyl and amido protons in aqueous solution7 i 2 it seems now that there are more tools than ever with which to experimentally probe the conformation of this challenging class of molecules. 

Glycobiology, 3, 97 (1993). Biological Roles of Oligosaccharides All of the Theories Are Correct. 

Meningococcal Group B Monoclonal Antibody and Its Fab Fragment with a2-8-Linked Sialic Acid Polymers Requirement of a Long Oligosaccharide Segment for Binding. 

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