Configurational entropy of randomly double-folding ring polymers

Topologically constrained genome-like polymers often double-fold into tree-like configurations. Here, we calculate the exact number of tightly double-folded configurations available to a ring polymer in ideal conditions. For this purpose, we introduce a scheme that allows us to define a "code" specifying how a ring wraps a randomly branching tree and calculate the number of admissible wrapping codes via a variant of Bertrand's ballot theorem. As a validation, we demonstrate that data from Monte Carlo simulations of an elastic lattice model of non-interacting tightly double-folded rings with controlled branching activity are in excellent agreement with exact expressions for branch-node and tree size statistics that can be derived from our expression for the ring entropy.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2026-02-23
DOI
https://doi.org/10.1063/5.0318212
Primary Topic
Protein Structure and Dynamics
Type
article
Field-Weighted Citation Impact
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article

Configurational entropy of randomly double-folding ring polymers

Angelo Rosa, Elham Ghobadpour, Pieter H. W. van der Hoek
The Journal of Chemical Physics
Protein Structure and Dynamics
article

Configurational entropy of randomly double-folding ring polymers

Angelo Rosa, Elham Ghobadpour, Pieter H. W. van der Hoek
article en

Abstract

Topologically constrained genome-like polymers often double-fold into tree-like configurations. Here, we calculate the exact number of tightly double-folded configurations available to a ring polymer in ideal conditions. For this purpose, we introduce a scheme that allows us to define a "code" specifying how a ring wraps a randomly branching tree and calculate the number of admissible wrapping codes via a variant of Bertrand's ballot theorem. As a validation, we demonstrate that data from Monte Carlo simulations of an elastic lattice model of non-interacting tightly double-folded rings with controlled branching activity are in excellent agreement with exact expressions for branch-node and tree size statistics that can be derived from our expression for the ring entropy.

The Journal of Chemical PhysicsVol. 164(8)
École Normale Supérieure de Lyon (FR), Centre National de la Recherche Scientifique (FR), Scuola Internazionale Superiore di Studi Avanzati (IT), Laboratoire de Physique de l'ENS de Lyon (FR)
Openalex Percentile: Top 45%
Protein Structure and Dynamics
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