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• W2085753643 abstract "Energy surfaces were computed for relative orientations of the relaxed pyranosyl rings of the two anomeric forms of kojibiose, nigerose, and maltose, the (1 → 2)-α, (1 → 3)-α- and (1 → 4)-α-linked d-glucosyl disaccharides, respectively. Twenty-four combinations of starting conformations of the rotatable side-groups were considered for each disaccharide. Optimized structures were calculated using MM3 on a 20° grid spacing of the torsional angles about the glycosidic bonds. The energy surfaces of the six disaccharides were similar in many respects but differed in detail within the low-energy regions. The maps also illustrate the importance of the exo-anomeric effect and linkage type in determining the conformational flexibility of disaccharides. Torsional conformations of known crystal structures of maltosyl-containing molecules lie in a lower MM3 energy range than previously reported." @default.
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• W2085753643 date "1992-06-01" @default.
• W2085753643 modified "2023-10-16" @default.
• W2085753643 title "Conformational analysis of the anomeric forms of kojibiose, nigerose, and maltose using MM3" @default.
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• W2085753643 doi "https://doi.org/10.1016/0008-6215(92)84035-q" @default.
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