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Research in the Woods group examines the relationship between
carbohydrate conformation and biological recognition. Areas of particular
interest include carbohydrate antigenicity in immunological events,
carbohydrate- processing enzymes, and the development of appropriate
simulational methods for these systems. The flexibility of
biomolecules is ideally suited to analysis by molecular
dynamics simulations,
whereas quantum mechanical methodsare applied to examine enzyme mechanisms and
develop the GLYCAM force field parameters.
The relationship between carbohydrate sequence/structure and the affinity
of carbohydrate- protein interactions is amenable to study by free energy perturbation and direct deltaG calculations. The computational methods are complimented by experimental techniques, such as NMR spectroscopy,
X-ray crystallography, and mass spectrometry.
Computational Carbohydrate Chemistry -C&EN Article