Phase diagram of the Wako-Saito-Munoz-Eaton beta-hairpin Model obtained with partition function zeros

TL;DR

This paper analyzes the partition function zeros of the Wako-Saito-Munoz-Eaton beta-hairpin model to determine its phase diagram and folding transition temperatures across different entropy costs.

Contribution

It introduces a method to derive the phase diagram of the WSME beta-hairpin model using partition function zeros in the complex temperature plane.

Findings

Zeros form clear loci indicating folding transitions

Transition temperatures vary with entropy cost

Phase diagram of the model is mapped out

Abstract

I study the partition function zeros of the Wako-Saito-Munoz-Eaton (WSME) beta hairpin model in the complex temperature plane. For various values of the entropy cost of disordering a bond, the zeros show clear locus corresponding to the folding transition. By extrapolating the locus to the real axis, transition temperature can be determined for various values of the entropy cost, leading to the phase diagram of the WSME beta hairpin model.