Versatile approach to access the low temperature thermodynamics of lattice polymers and proteins.

@article{Wst2009VersatileAT,
  title={Versatile approach to access the low temperature thermodynamics of lattice polymers and proteins.},
  author={Thomas W{\"u}st and David P. Landau},
  journal={Physical review letters},
  year={2009},
  volume={102 17},
  pages={178101}
}
We show that Wang-Landau sampling, combined with suitable Monte Carlo trial moves, provides a powerful method for both the ground state search and the determination of the density of states for the hydrophobic-polar (HP) protein model and the interacting self-avoiding walk (ISAW) model for homopolymers. We obtain accurate estimates of thermodynamic quantities for HP sequences with >100 monomers and for ISAWs up to >500 monomers. Our procedure possesses an intrinsic simplicity and overcomes the… CONTINUE READING
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