Research group of M Scott Shell
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Overview


Our research focuses on several problems in contemporary biophysics and condensed matter theory, using modern tools of statistical mechanics and molecular simulation: 
  • folding and design principles in proteins 
  • peptide structure, association, aggregation, and transport
  • the interplay of structure, kinetics, and thermodynamics in nanoscale systems
  • robust approaches to free energy calculations, multiscale modeling, and molecular design 
News
  • To prospective students and layfolk: So what is protein folding? Check out a movie that we made using atomistic simulations. It's a fudge, really, since it's actually an unfolding simulation reversed in time, but it does give some idea of what the folding process might look like.  The movie corresponds to about 4 ns; real proteins, on the other hand, usually take on the order ms to fold. The protein shown is protein G.

Department of Chemical Engineering  |  University of California Santa Barbara