David Green's research is focused on computational studies of protein interactions. Key areas include: Understanding the determinants of specificity in protein interactions through biomolecular simulation; development and application of algorithms for the design of binding interfaces; and development of tools for the study of protein-carbohydrate interactions, with a focus on the glycobiology of HIV-1 infection. His research combines techniques from applied mathematics and models from biophysical chemistry to solve problems in biology and medicine.