Partition function zeros and finite size scaling of helix-coil transitions in a polypeptide

We report on multicanonical simulations of the helix-coil transition of a polypeptide. The nature of this transition was studied by calculating partition function zeros and the finite size scaling of various quantities. New estimates for critical exponents are presented.

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Bibliographic Details
Published in:Physical review letters 2000-02, Vol.84 (8), p.1836-1839
Main Authors: Alves, N A, Hansmann, U H
Format: Article
Language:English
Subjects:
Algorithms
Computer Simulation
Peptides - chemistry
Protein Structure, Secondary
Regression Analysis
Temperature
Thermodynamics
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Description
Summary:We report on multicanonical simulations of the helix-coil transition of a polypeptide. The nature of this transition was studied by calculating partition function zeros and the finite size scaling of various quantities. New estimates for critical exponents are presented.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.84.1836