Our research is focused on understanding and engineering biomolecular
systems for pharmaceutical and biomedical applications using computational modeling. We are interested in understanding the fundamental processes in chemistry and biology such as molecular recognition and biomolecular
structure-function relationship. We are developing methods to simulate and predict molecular
behavior, and to engineer novel molecules from small-molecule drugs to nanomaterials.
We welcome qualified students who are
interested in serious research on modeling and simulations. The students in the
lab are involved in a broad range of research activities from drug discovery to
protein and materials modeling, and to software development.