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

نویسندگان

  • Thomas Wüst
  • David P Landau
چکیده

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 limitations inherent in more tailored approaches making it interesting for a broad range of protein and polymer models.

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عنوان ژورنال:
  • Physical review letters

دوره 102 17  شماره 

صفحات  -

تاریخ انتشار 2009