Sticky interactions govern sequence-dependent dynamics in biomolecular condensates

Intrinsically disordered proteins (IDPs) play a central role in shaping the dynamics and material properties of biomolecular condensates. Understanding how sequence features determine these properties is critical for elucidating physiological function and guiding the rational design of synthetic condensates. Here, we use molecular dynamics simulations to investigate condensates formed by model IDPs with systematically varied chain length and charge patterning, two features characteristic of natural IDPs. Our results show that chain relaxation times, governed by sequence-dependent electrostatic interactions, quantitatively predict condensate viscosity and diffusivity. These condensates exhibit dynamics consistent with a crossover regime between Rouse and reptation behavior. While the Rouse model with idealized friction fails to capture sequence effects, a sticky Rouse-like framework, which incorporates transient interchain contact lifetimes, accurately predicts chain reconfiguration times and, consequently, macroscopic material properties. This work establishes a predictive, sequence-resolved framework that links molecular interactions to condensate dynamics across length and time scales.

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Publication Details

Journal
Proceedings of the National Academy of Sciences
Published
2026-01-02
DOI
https://doi.org/10.1073/pnas.2518384122
Primary Topic
Protein Structure and Dynamics
Type
article
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article

Sticky interactions govern sequence-dependent dynamics in biomolecular condensates

Young Ho Kim, Jeetain Mittal, Dinesh Sundaravadivelu Devarajan, Keerthivasan Muthukumar
Proceedings of the National Academy of Sciences
Protein Structure and Dynamics
article

Sticky interactions govern sequence-dependent dynamics in biomolecular condensates

Young Ho Kim, Jeetain Mittal, Dinesh Sundaravadivelu Devarajan, Keerthivasan Muthukumar
article en

Abstract

Intrinsically disordered proteins (IDPs) play a central role in shaping the dynamics and material properties of biomolecular condensates. Understanding how sequence features determine these properties is critical for elucidating physiological function and guiding the rational design of synthetic condensates. Here, we use molecular dynamics simulations to investigate condensates formed by model IDPs with systematically varied chain length and charge patterning, two features characteristic of natural IDPs. Our results show that chain relaxation times, governed by sequence-dependent electrostatic interactions, quantitatively predict condensate viscosity and diffusivity. These condensates exhibit dynamics consistent with a crossover regime between Rouse and reptation behavior. While the Rouse model with idealized friction fails to capture sequence effects, a sticky Rouse-like framework, which incorporates transient interchain contact lifetimes, accurately predicts chain reconfiguration times and, consequently, macroscopic material properties. This work establishes a predictive, sequence-resolved framework that links molecular interactions to condensate dynamics across length and time scales.

Proceedings of the National Academy of SciencesVol. 123(1)
Institute of High Performance Computing (SG), Material Physics Center (ES), Naval Research Laboratory Materials Science and Technology Division, Texas A&M University (US)
Openalex Percentile: Top 99%
Protein Structure and Dynamics
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