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Visiting Assistant Professor of Chemistry Karl N. Kirschner recently published a book chapter titled "Incorporation of Carbohydrates into Macromolecular Force Fields."  The chapter was coauthored with Dr. Sarah Tschampel ('00), a former Hamilton chemistry student, and with Dr. Robert Woods from the Complex Carbohydrate Research Center (CCRC) at the University of Georgia.  The chapter appears in an American Chemical Society book titled NMR Spectroscopy and Computer Modeling of Carbohydrates. Recent Advances edited by Johannes F. G. Vliegenthart and Robert J. Woods. 

The chapter is an overview of molecular mechanic force fields developed to simulate carbohydrates.  Included in the overview is the GLYCAM force field, which was developed by Kirschner, Tschampel and Woods.  Kirschner was a postdoctoral student and Tschampel was a graduate student at the CCRC during this research. 

GLYCAM is a state of the art force field that has been incorporated into the molecular dynamics program AMBER, distributed by the University of California, San Francisco.  

Ashley Deline '06, conducted her senior thesis with Kirschner and used the GLYCAM force field and AMBER to explore the conformational space of an oligosaccharide that is found in antibodies associated with the autoimmune disease rheumatoid arthritis.

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