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. Currently the laboratory is engaged in three main directions of research.
- We are developing novel computational methods for the efficient sampling of biomolecular systems.
- We are studying the solvation, folding, binding, and self-aggregation of peptides and proteins.
- We are studying molecular mechanisms of ion translocation across biological membranes.