Understanding the physical principles that govern the structure and function of biological molecules is paramount to predict and rationalize biological activity. To this end, we use computer simulations to study biological systems at the molecular level.
The Pomès group specializes in the development of computational methods and their application to the study of biological processes. In particular, we seek to uncover the link between the structure, dynamics, and function of proteins. Our work is grounded in statistical mechanics, which provides a formal connection between microscopic and macroscopic length scales. We use computer simulations of molecular models to glean mechanistic insight at spatial and temporal resolutions that are difficult to attain experimentally. More specifically, we study systems of biological relevance with atomistic resolution over time scales extending from the femtosecond to the microsecond and beyond—9 to 11 orders of magnitude over which many important biological processes occur at the molecular level.
We are interested in elucidating the physical basis for the structure and function of membrane proteins and in a variety of problems pertaining to protein folding, binding, and self-aggregation.