Thermodynamics of the coil to frozen globule transition in heteropolymers

Vijay S. Pande; Alexander Yu Grosberg; Toyoichi Tanaka

doi:10.1063/1.474875

Thermodynamics of the coil to frozen globule transition in heteropolymers

Vijay S. Pande, Alexander Yu Grosberg, Toyoichi Tanaka

Research output: Contribution to journal › Article › peer-review

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 language	English (US)
Pages (from-to)	5118-5124
Number of pages	7
Journal	Journal of Chemical Physics
Volume	107
Issue number	13
DOIs	https://doi.org/10.1063/1.474875
State	Published - Oct 1 1997

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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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.",

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AB - 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.

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Thermodynamics of the coil to frozen globule transition in heteropolymers

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