Date of Award
Doctor of Philosophy
Chemical and Biological Engineering
Peter J. Reilly
Carbohydrates are important molecules in energy storage and cellular recognition. New methods are used and discussed to capture important structural details of created by the protein/carbohydrate interactions. In particular, the thermodynamics of carbohydrate binding are explored, and a new model to accurately calculate the free energy of binding is developed. Additionally, a new method of describing the pucker of carbohydrate ring with three coordinates is discussed. These methods are then applied to Family 1 Glycoside Hydrolases.
Digital Repository @ Iowa State University, http://lib.dr.iastate.edu/
Anthony David Hill
Hill, Anthony David, "Computational methods in the study of carbohydrates and carbohydrate-active enzymes " (2006). Retrospective Theses and Dissertations. 1867.