Freezing and folding behavior in simple off-lattice heteropolymers

James E. Magee, J. Warwicker, L. Lue

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)

Abstract

We have performed parallel tempering Monte Carlo simulations using a simple continuum heteropolymer model for proteins. All 10 heteropolymer sequences which we have studied have shown first-order transitions at low temperature to ordered states dominated by single chain conformations. These results are in contrast with the theoretical predictions of the random energy model for heteropolymers, from which we would expect continuous transitions to glassy behavior at low temperatures.
Original languageEnglish
Pages (from-to)11285-11291
Number of pages7
JournalJournal of Chemical Physics
Volume120
Issue number23
DOIs
Publication statusPublished - 15 Jun 2004

Keywords

  • freezing
  • Monte Carlo methods
  • digital simulation
  • sequences
  • proteins
  • molecular biophysics
  • polymer structure
  • polymers
  • macromolecules

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