Dissipative dynamics and the statistics of energy states of a Hookean model for protein folding

Tuzel E., Erzan A.

JOURNAL OF STATISTICAL PHYSICS, vol.100, pp.405-422, 2000 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 100
  • Publication Date: 2000
  • Doi Number: 10.1023/a:1018616417953
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.405-422
  • Istanbul Technical University Affiliated: No


A generic model of a random polypeptide chain, with discrete torsional degrees of freedom and Hookean spring connecting pails or hydrophobic residues, reproduces the energy probability distribution of real proteins over a very large range of energies. We show that this system with harmonic interactions, under dissipative dynamics driven by random noise, leads to a distribution of energy states obeying a modified one-dimensional Ornstein-Uhlenbeck process and giving rise Lo the so-called Wigner distribution. A tunably fine- or coarse-grained sampling of the energy landscape yields a family of distributions for the energies and energy spacings.