Kinetically driven helix formation during the homopolymer collapse process

TL;DR

This study uses Langevin simulations to show that homopolymer chains in poor solvents can spontaneously form helices during collapse, especially when hydrodynamic interactions are screened, revealing a kinetic pathway for helix formation.

Contribution

It demonstrates that simple homopolymer chains can kinetically form helices during collapse, driven by unstable modes, a phenomenon influenced by hydrodynamic screening.

Findings

Helices form spontaneously during homopolymer collapse.

Screening hydrodynamic interactions enhances helix stability.

Unstable modes of straight chains initiate helix formation.

Abstract

Using Langevin simulations, we find that simple 'generic' bead-and-spring homopolymer chains in a sufficiently bad solvent spontaneously develop helical order during the process of collapsing from an initially stretched conformation. The helix formation is initiated by the unstable modes of the straight chain, which drive the system towards a long-lived metastable transient state. The effect is most pronounced if hydrodynamic interactions are screened.