Winslow Professor of Chemistry George Shields and Co-Director of the Center for Molecular Design Karl Kirschner recently published a paper in Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry. Their article, "The Limitations of Certain Density Functionals in Modeling Neutral Water Clusters," was published in a special issue of the journal devoted to water clusters.

Article Published in Highly Cited Journal of the American Chemical Society



Hamilton College researchers have identified molecules that have been shown to be effective in the fight against breast cancer.

The Hamilton researchers used state-of-the-art computational techniques in a novel way to design molecules that they predicted would be effective lead compounds for breast cancer research. Scientists from the Albany Medical College subsequently synthesized the predicted molecules and showed that they were indeed potential anti-breast cancer compounds in animal systems.

A paper detailing the research, "Computational Design and Experimental Discovery of an Anti-estrogenic Peptide Derived from Alpha-Fetoprotein," will be published in the May 16 issue of the Journal of American Chemical Society.

Winslow Professor of Chemistry George Shields and co-director of the Center for Molecular Design Karl Kirschner led the Hamilton research team with undergraduate students Katrina Lexa '05, Amanda Salisburg '08, Katherine Alser '09.