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DFT conformational studies of alpha-maltotriose

Udo Schnupf1, Julious L Willett, Wayne B Bosma

  • 1Plant Polymer Research, National Center for Agricultural Utilization Research, ARS, USDA, 1905 N. University Street, Peoria, Illinois 61604, USA.

Journal of Computational Chemistry
|December 12, 2007
PubMed
Summary

This study investigated alpha-maltotriose conformations using DFT, finding significant energy differences between hydroxyl rotamers. Solvent effects, however, favor alternative conformations, highlighting the role of solvation in carbohydrate structure.

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