Modeling protein folding routes

PHYS 93

Ken A. Dill, dill@maxwell.ucsf.edu, University of California San Francisco, 600 16th Street, San Francisco, CA 94158-2517
We are interested in the microscopic routes of folding in small fast-folding proteins. We explore the zipping and assembly mechanism, and apply it to conformational searching in all-atom modeling, using AMBER96 with the OBC implicit GB/SA solvation model. We also explore simple analytical treatments of the cooperativities and anti-Arrhenius folding kinetics in small proteins.