Research interests In the Molecular and Cellular Modeling group, our main focus is on proteins and finding out how they interact with their molecular binding partners and function. We develop and apply computational approaches to address questions such as: How do proteins recognize and distinguish their binding partners? How tightly and quickly do they bind? By what mechanisms do they bind? Can binding partners and binding modes be predicted? Our studies are mostly based on the three-dimensional structures of macromolecules. We aim to make concerted use of bioinformatics and physical simulation approaches in order to develop methods for understanding how biomolecules work and for aiding the rational design of therapeutic agents. Techniques cover a wide spectrum from interactive, web-based visualization tools to machine learning to molecular and Brownian dynamics simulations. Applications range from in-depth simulation studies of particular proteins to large-scale computational analysis of protein families.