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Elastic Energy and Phase Structure in a Continuous Spin Ising Chain with Applications to the Protein Folding Problem
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Theoretical Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Theoretical Physics.
2011 (English)In: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, E-ISSN 1550-2376, Vol. 83, no 1Article in journal (Refereed) Published
Abstract [en]

We present a numerical Monte Carlo analysis of a continuos spin Ising chain that can describe the statistical proterties of folded proteins. We find that depending on the value of the Metropolis temperature, the model displays the three known nontrivial phases of polymers: At low temperatures the model is in a collapsed phase, at medium temperatures it is in a random walk phase, and at high temperatures it enters the self-avoiding random walk phase. By investigating the temperature dependence of the specific energy we confirm that the transition between the collapsed phase and the random walk phase is a phase transition, while the random walk phase and self-avoiding random walk phase are separated from each other by a cross-over transition. We also compare the predictions of the model to a phenomenological elastic energy formula, proposed by Huang and Lei to describe folded proteins.

Place, publisher, year, edition, pages
2011. Vol. 83, no 1
National Category
Subatomic Physics
Research subject
Theoretical Physics
Identifiers
URN: urn:nbn:se:uu:diva-196370DOI: 10.1103/PhysRevE.83.011126OAI: oai:DiVA.org:uu-196370DiVA: diva2:609995
Available from: 2013-03-08 Created: 2013-03-08 Last updated: 2017-12-06

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