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.
Configurational entropy of randomly double-folding ring polymers / Van Der Hoek, Pieter H. W.; Rosa, Angelo; Ghobadpour, Elham; Everaers, Ralf. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 164:8(2026). [10.1063/5.0318212]
Configurational entropy of randomly double-folding ring polymers
Rosa, Angelo
Membro del Collaboration group
;Everaers, RalfMembro del Collaboration group
2026-01-01
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.| File | Dimensione | Formato | |
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