The Ondrechen group is based in the Department of Chemistry and Chemical Biology at Northeastern University. Our work spans the areas of theoretical and computational chemistry, biology, and computer science. Areas of interest include functional genomics - predicting the biochemical functional roles of gene products (proteins), protein engineering, providing computational guidance for drug discovery, and understanding the fundamental basis for enzyme catalysis. The Ondrechen group has developed methods to predict protein function from 3D structure. Our THEMATICS method (see Ondrechen et al., Proc. Natl. Acad. Sci. USA 98, 12473, 2001) requires only the structure of the query protein and thus works for proteins that bear no resemblance to previously characterized proteins. Partial Order Optimum Likelihood (POOL) is a new Machine Learning method and top-performing predictor of functionally important residues in proteins (see Tong et al., PLoS Comp. Biol. 5(1): e1000266, 2009).