Intermediate Resolution Models and Protein Folding and Allostery

ORAL

Abstract

Intermediate Resolution Models (IRM)s model proteins with nearly all atom precision but consider solvent implicitly, and treat electrostatics as short-range interactions. In this talk, we describe a new IRM. We discuss its differences from other existing IRMs and test it again a set of 13 proteins. The model successfully folds 12 of them into its native state, starting from a random configuration. The stability of the native state versus other states with different topologies (arrangement of the secondary structure) is also discussed. Implications for general protein motion are also presented.

Authors

  • Abhijeet Kapoor

    Iowa State University

  • Alex Travesset

    Iowa State University Department of Physics and Astronomy and Ames Lab DOE, Iowa State University and Ames Lab