Mk. Dowd et al., MOLECULAR MODELING OF 2 DISACCHARIDES CONTAINING FRUCTOPYRANOSE LINKED TO GLUCOPYRANOSE, Journal of carbohydrate chemistry, 12(4-5), 1993, pp. 449-457
Ramachandran energy surfaces for the disaccharides leucrose and turano
se were computed using MM3. For each molecule, thirty-two combinations
of hydroxyl and primary alcohol group orientations were considered. T
he calculations used a dielectric constant of 4.0 and the maps were ge
nerated on a 20-degrees grid-spacing. The models compared well with th
e corresponding crystal structures except for significant deviations i
n some of the anomeric C-O bond lengths.