Thermodynamics of the coil to frozen globule transition in heteropolymers

Vijay S. Pande, Alexander Yu Grosberg, Toyoichi Tanaka

    Research output: Contribution to journalArticle

    Abstract

    Recent analytic theories and computer simulations of heteropolymers have centered on the freezing transition of globular heteropolymers. We present a simple analytic theory to describe the coil to globule collapse in heteropolymers and compare this to the computer simulation of the exhaustive enumeration of all 18-mer cubic lattice polymer conformations. We find that the collapse transition from coil to frozen globule can either be first or second order. The relevance to protein folding is also discussed.

    Original languageEnglish (US)
    Pages (from-to)5118-5124
    Number of pages7
    JournalJournal of Chemical Physics
    Volume107
    Issue number13
    StatePublished - Oct 1 1997

    Fingerprint

    globules
    coils
    computerized simulation
    Thermodynamics
    Protein folding
    thermodynamics
    enumeration
    Computer simulation
    cubic lattices
    Freezing
    folding
    freezing
    Conformations
    Polymers
    proteins
    polymers
    simulation

    ASJC Scopus subject areas

    • Atomic and Molecular Physics, and Optics

    Cite this

    Pande, V. S., Grosberg, A. Y., & Tanaka, T. (1997). Thermodynamics of the coil to frozen globule transition in heteropolymers. Journal of Chemical Physics, 107(13), 5118-5124.

    Thermodynamics of the coil to frozen globule transition in heteropolymers. / Pande, Vijay S.; Grosberg, Alexander Yu; Tanaka, Toyoichi.

    In: Journal of Chemical Physics, Vol. 107, No. 13, 01.10.1997, p. 5118-5124.

    Research output: Contribution to journalArticle

    Pande, VS, Grosberg, AY & Tanaka, T 1997, 'Thermodynamics of the coil to frozen globule transition in heteropolymers', Journal of Chemical Physics, vol. 107, no. 13, pp. 5118-5124.
    Pande, Vijay S. ; Grosberg, Alexander Yu ; Tanaka, Toyoichi. / Thermodynamics of the coil to frozen globule transition in heteropolymers. In: Journal of Chemical Physics. 1997 ; Vol. 107, No. 13. pp. 5118-5124.
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