Structure and Aggregation of a Helix-Forming Polymer

TL;DR

This study investigates how two helix-forming polymers interact, revealing that proximity can stabilize secondary structures but may still lead to overall collapse into unstructured globules.

Contribution

It provides simulation insights into the interplay between helix formation and aggregation in a simple polymer model, highlighting the effects of molecular proximity.

Findings

Proximity can stabilize secondary structures in polymers.

Secondary structures are not stable enough to prevent globule formation.

Aggregation influences the balance between intra- and intermolecular interactions.

Abstract

We have studied the competition between helix formation and aggregation for a simple polymer model. We present simulation results for a system of two such polymers, examining the potential of mean force, the balance between inter and intramolecular interactions, and the promotion or disruption of secondary structure brought on by the proximity of the two molecules. In particular, we demonstrate that proximity between two such molecules can stabilize secondary structure. However, for this model, observed secondary structure is not stable enough to prevent collapse of the system into an unstructured globule.