Natively unfolded proteins
We use molecular simulation methods to examine a variety of biological phenomena while pursuing questions that cannot be addressed by laboratory experiments. Our research falls into three main areas:
1) Development of atomistic simulation approaches for sampling “rare”, but fast events such as protein folding, binding, and switching, with realistic kinetics on large-scale computing resources, including supercomputers and distributed computed networks.
2) Application of coarse-grained simulation approaches to aid the design of bi-functional, two-domain protein switches that function through “mutually exclusive folding”.
3) Application of implicit and explicit solvent models to examine the desolvation costs of salt bridges across protein binding interfaces.
PhD 2002, University of California at San Francisco
Stanford University/IBM Almaden Research Center
Department of Chemistry
University of Pittsburgh
219 Parkman Avenue
Pittsburgh, PA 15260
Phone: (412) 624-6026
Fax: (412) 624-8301