Exact Partition Function Zeros of the Wako-Saito-Mu\~noz-Eaton Protein Model

TL;DR

This paper calculates exact partition function zeros for a protein folding model, distinguishing different folding transition types through the distribution of zeros, using both analytical and numerical methods.

Contribution

It provides the first exact computation of partition function zeros for the Wako-Saito-Mu oz-Eaton model, enabling detailed analysis of folding transitions.

Findings

Two-state folding transitions show a gap in zeros distribution.

Downhill folding transitions lack a gap, indicating different folding behavior.

Exact zeros help distinguish folding mechanisms in proteins.

Abstract

I compute exact partition function zeros of the Wako-Saito-Mu\~noz-Eaton model for various secondary structural elements and for two proteins, 1BBL and 1I6C, using both analytic and numerical methods. Two-state and barrierless downhill folding transitions can be distinguished by a gap in the distribution of zeros at the positive real axis.