Computational Biochemistry and Drug Design

Research at Duke has led to computational structure-based protein design algorithms that could revolutionize therapeutic treatment. These algorithms will enable the design of proteins and other molecules to act on today's undruggable proteins and tomorrow's drug-resistant diseases. Examples include predicting future resistance mutations to new drugs in pathogens responsible for deadly nosocomial and community-acquired infections, the design of inhibitors of protein-protein interactions that address the underlying genetic defect in cystic fibrosis patients, and the discovery of broadly neutralizing antibodies against Human immunodeficiency virus (HIV).