Polymer-residue accessibility shapes sequence dependence of critical temperatures for phase separation

Biological polymers, such as intrinsically disordered proteins, play a central role in cellular biology, including mediating phase separation and controlling activity of biological condensates. The physical properties and functions of biopolymers are determined by their residue sequence. Recently, significant computational and theoretical efforts have been devoted to characterizing the combinatorially complex sequence dependence of biopolymer phase diagrams. Here, we quantitatively show that monomer accessibility is central to determining the strength of pair interactions. We formulate an analytical perturbative approach, phenomenologically precluding two polymers' centers of mass from overlapping within a correlation hole. This theory yields the correction to the strength of mean-field interactions in terms of a residue-accessibility parameter (RAP), which accounts for the limited availability of inner monomers to interactions. RAP rationalizes the variations in critical temperatures found in extensive Monte Carlo simulations for thousands of two-letter polymer solutions of varying lengths and sequences. RAP may thus be effective for deciphering the polymer-sequence dependence of phase diagrams given any polymer length, set of monomer types, and polymer mixtures.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2026-10-05
DOI
https://doi.org/10.1063/5.0348493
Primary Topic
Protein Structure and Dynamics
Type
article
Field-Weighted Citation Impact
0.00

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article

Polymer-residue accessibility shapes sequence dependence of critical temperatures for phase separation

Benjamin Sorkin, Athanassios Z. Panagiotopoulos, Amala Akkiraju, Howard A. Stone et al.
The Journal of Chemical Physics
Protein Structure and Dynamics
article

Polymer-residue accessibility shapes sequence dependence of critical temperatures for phase separation

Benjamin Sorkin, Athanassios Z. Panagiotopoulos, Amala Akkiraju, Howard A. Stone, J. Pedro de Souza
article en

Abstract

Biological polymers, such as intrinsically disordered proteins, play a central role in cellular biology, including mediating phase separation and controlling activity of biological condensates. The physical properties and functions of biopolymers are determined by their residue sequence. Recently, significant computational and theoretical efforts have been devoted to characterizing the combinatorially complex sequence dependence of biopolymer phase diagrams. Here, we quantitatively show that monomer accessibility is central to determining the strength of pair interactions. We formulate an analytical perturbative approach, phenomenologically precluding two polymers' centers of mass from overlapping within a correlation hole. This theory yields the correction to the strength of mean-field interactions in terms of a residue-accessibility parameter (RAP), which accounts for the limited availability of inner monomers to interactions. RAP rationalizes the variations in critical temperatures found in extensive Monte Carlo simulations for thousands of two-letter polymer solutions of varying lengths and sequences. RAP may thus be effective for deciphering the polymer-sequence dependence of phase diagrams given any polymer length, set of monomer types, and polymer mixtures.

The Journal of Chemical PhysicsVol. 165(13)
University of California, Los Angeles (US), Princeton University (US)
National Science Foundation, Princeton Center for Complex Materials, Division of Materials Research
Openalex Percentile: Top 85%
Protein Structure and Dynamics
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