Calculations, oligosaccharide modeling

The internal flexibility of oligosaccharides is a major obstacle to interpretation of experimental data. To deduce three-dimensional structure, one must, therefore, be able to correctly model internal flexibility. Various methods and results for conformational energy calculations for oligosaccharides have recently been reviewed (9-13). Therefore, no attempt will be made here to describe such efforts to calculate conformational energy surfaces. 

Fig. 15. Stereo plots of the space filling models of the two conformations calculated for the biantennary octasaccharide, (3-D-Gal-(l-4)-P-D-GlcA,Ac-(l-2) (-D-Man-(l-6)-[P- >(- al-(l-4)-[3-D-GlcAA,c-(l-2)-a-D-Man-(l-3)-]-p-D-Man-(l-4)-p-D-GlcAAc, of the A -type oligosaccharides using the GESA program. The reducing end is to the right...

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