The statistical mechanics of the two-dimensional hydrogen-bonding self-avoiding walk including solvent effects

TL;DR

This paper extends a 2D lattice model for protein secondary structures by including solvent effects, revealing a richer phase diagram with more diverse phases than previous models.

Contribution

It introduces configuration-dependent interactions to incorporate solvent effects into the hydrogen-bonding self-avoiding walk model, expanding understanding of phase behavior.

Findings

Richer phase diagram with multiple phases

Inclusion of solvent effects alters phase transitions

Enhanced model complexity compared to prior models

Abstract

A two-dimensional square-lattice model for the formation of secondary structures in proteins, the hydrogen-bonding model, is extended to include the effects of solvent quality. This is achieved by allowing configuration-dependent nearest-neighbour interactions. The phase diagram is presented, and found to have a much richer variety of phases than either the pure hydrogen-bonding self-avoiding walk model or the standard $\Theta$-point model.