Straub Lab

The Straub Group investigates the dynamics and thermodynamics of complex molecular systems. We develop computational methods for enhanced sampling, free energy calculation, global optimization, and long-time dynamics. Of particular interest are problems involving protein-protein association, protein aggregation, and amyloid fibril formation and polymorphism. Student and postdoctoral research scientists in the Straub Group work to develop and employ state-of-the-art computational methods while working in collaboration with leading experimental research groups.