Hidden structure in protein energy landscapes

Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Feb;77(2 Pt 1):021902. doi: 10.1103/PhysRevE.77.021902. Epub 2008 Feb 4.

Abstract

Inherent structure theory is used to discover strong connections between simple characteristics of protein structure and the energy landscape of a Gō model. The potential energies and vibrational free energies of inherent structures are highly correlated, and both reflect simple measures of networks of native contacts. These connections have important consequences for models of protein dynamics and thermodynamics.

MeSH terms

  • Computer Simulation
  • Energy Transfer*
  • Models, Chemical*
  • Models, Molecular*
  • Protein Conformation
  • Protein Folding
  • Proteins / chemistry*
  • Proteins / ultrastructure*

Substances

  • Proteins