Freezing and folding behavior in simple off-lattice heteropolymers

Magee, James E. and Warwicker, J. and Lue, L. (2004) Freezing and folding behavior in simple off-lattice heteropolymers. Journal of Chemical Physics, 120 (23). pp. 11285-11291. ISSN 0021-9606 (https://doi.org/10.1063/1.1740750)

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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.

ORCID iDs

Magee, James E., Warwicker, J. and Lue, L. ORCID logoORCID: https://orcid.org/0000-0002-4826-5337;
  • Item type:Article
    ID code:38002
    Dates:
    Date
    Event
    15 June 2004
    Published
    Keywords:freezing, Monte Carlo methods, digital simulation, sequences, proteins, molecular biophysics, polymer structure, polymers, macromolecules, Physical and theoretical chemistry, Physics and Astronomy(all), Physical and Theoretical Chemistry
    Subjects:Science > Chemistry > Physical and theoretical chemistry
    Department:Faculty of Engineering > Chemical and Process Engineering
    Depositing user: Pure Administrator
    Date deposited:29 Feb 2012 12:43
    Last modified:20 Jan 2021 18:52
    URI:https://strathprints.strath.ac.uk/id/eprint/38002
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