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February 25, 2026The Journal of Chemical Physics1 citationsOpen Access

Configurational entropy of randomly double-folding ring polymers

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PHPieter H. W. van der HoekARAngelo RosaEGElham Ghobadpour

Key Points

  • The aim is to calculate the number of tightly double-folded configurations for ring polymers under ideal conditions.
  • Introduced a scheme to define wrapping codes for ring polymers.
  • Applied a variant of Bertrand's ballot theorem to calculate admissible configurations.
  • Validated findings using Monte Carlo simulations on an elastic lattice model.
  • Exact expressions for branch-node and tree size statistics were derived.
  • Monte Carlo simulations showed excellent agreement with theoretical calculations.

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.

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Cite This Study

Hoek et al. (2026) studied this question.

synapsesocial.com/papers/699e920af5123be5ed04ff98https://doi.org/10.1063/5.0318212
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