Computational Systems Biology & Bioinformatics including the development of algorithms and their application to proteomes for the prediction of protein structure and function, the prediction of small molecule ligand-protein interactions with applications to drug discovery and the prediction of off-target uses of existing drugs, fundamental studies on the nature and completeness of protein structure space and the exploration of the interplay between protein physics and evolution in determining protein structure and function, prediction of protein-protein and protein-DNA interactions, cancer metabolomics and molecular simulations of cellular processes.
