We develop computational tools to facilitate the structure-function study of large molecular assemblies such as viruses, enzyme clusters, transporters, and channels.
One of our research goals is to develop a platform for building, refining, and modeling atomic structures of molecular complexes using cryo-EM density map and other structural measurements (e.g. smFRET) as experimental constraints. In doing so, we implement new computational tools based on a vast repository of techniques previously developed in the context of protein structure prediction. Complexes of interest include HIV gp140 nanoparticles and light-controlled iGluR channels.