My research group focuses on developing computational techniques for studying protein structure and predicting protein interactions. This work focuses on three main areas: predicting structurally and functionally important water binding sites in proteins, identifying flexible regions and folding pathways from the hydrogen-bond networks in static protein structures (in collaboration with Michael Thorpe, who will present this work), and developing algorithms and in vitro strategies for screening molecular databases to identify new molecules that bind specifically to proteins. My talk will focus on the prediction of how water and other molecular ligands bind to proteins, and the relevance for protein and drug design.