English

Unraveling the beautiful complexity of simple lattice model polymers and proteins using Wang-Landau sampling

Soft Condensed Matter 2013-01-16 v1 Statistical Mechanics Biological Physics Computational Physics Biomolecules

Abstract

We describe a class of "bare bones" models of homopolymers which undergo coil-globule collapse and proteins which fold into their native states in free space or into denatured states when captured by an attractive substrate as the temperature is lowered. We then show how, with the use of a properly chosen trial move set, Wang-Landau Monte Carlo sampling can be used to study the rough free energy landscape and ground (native) states of these intriguingly simple systems and thus elucidate their thermodynamic complexity.

Keywords

Cite

@article{arxiv.1301.3466,
  title  = {Unraveling the beautiful complexity of simple lattice model polymers and proteins using Wang-Landau sampling},
  author = {Thomas Wüst and Ying Wai Li and David P. Landau},
  journal= {arXiv preprint arXiv:1301.3466},
  year   = {2013}
}

Comments

22 pages, 6 figures