Science Students to Present Research at Conference on Computational Chemistry


Publication Date: 7/27/2007

Lori Culberson ’08 and Laura Hofto ’10 are presenting their research at the sixth annual Mercury Conference on Computational Chemistry at Hamilton College (NY) on July 29. Their presentation, "Novel Density Functional Theory Methods for Describing Dispersion Interactions," concerns their on-going work to develop computational models that can accurately describe how proteins bind small molecules in their active sites.
Hofto′s contribution includes a newly designed chemical model -- the LRH model -- which she applies to mutations of the tryptophan hydroxylase enzyme. Mutations in this enzyme have been implicated in disorders such as Obsessive-Compulsive disorder, anxiety, and depression.
This research and presentation have been supported by the Research Corporation grant awarded this year to Dr. Mauricio Cafiero, assistant professor of chemistry.

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