Phase diagram of the Wako-Saito-Munoz-Eaton beta hairpin model obtained from the partition-function zeros

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초록

I study the partition-function zeros of the Wako-Sait-Muoz-Eaton (WSME) beta hairpin model in the complex temperature plane when the number of native contacts is 10. For various values of the entropy cost of disordering a bond, the zeros show a clear locus corresponding to the folding transition. The result suggests a new definition of the transition temperature, the temperature obtained by extrapolating the locus to the positive real axis. By computing the transition temperature for various values of the entropy cost, we obtain the phase diagram of the WSME beta hairpin model. I compare the present definition of the transition temperature with the transition midpoint temperature for several values of the entropy parameter and show that they are in a reasonably good agreement.

키워드

Partition-function zeros; Protein folding; beta-hairpin; Phase diagram; HELIX-COIL TRANSITION; LEE-YANG ZEROS; STATISTICAL-MECHANICS; EQUILIBRIUM; KINETICS; POLYALANINE; PROTEINS; FLOW
제목
Phase diagram of the Wako-Saito-Munoz-Eaton beta hairpin model obtained from the partition-function zeros
저자
Lee, Julian
DOI
10.3938/jkps.65.671
발행일
2014-09
유형
Article
저널명
Journal of the Korean Physical Society
권
65
호
5
페이지
671 ~ 675