An energetic model for macromolecules unraveling

TL;DR

This paper introduces an analytical energetic model for macromolecule unfolding, capturing the interplay of entropic and unfolding energies, and successfully reproduces experimental AFM data on titin proteins.

Contribution

It presents a novel, fully analytical model based on energy minimization for understanding macromolecule unfolding processes.

Findings

Model accurately reproduces titin AFM experimental data

Analytical approach clarifies energetic contributions to unfolding

Demonstrates the model's quantitative predictive capability

Abstract

We propose a simple approach, based on the minimization of the total (entropic plus unfolding) energy of a two-state system, describing the stretch-induced unfolding of macromolecules (proteins, silks, nanopolymers, DNA/RNA). The model is fully analytical and enlightens the role of the different energetic components regulating the unfolding evolution. As an explicit example of application we compare the analytical results with the titin Atomic Force Microscopy experiments showing the ability of the model to quantitatively reproduce the mechanical behavior of macromolecules unfolding.