报告
链条(单位)
统计物理学
动力学(音乐)
分子动力学
放松(心理学)
工作(物理)
序列(生物学)
粘度
化学物理
物理
功能(生物学)
接触动力学
渡线
电荷(物理)
瞬态(计算机编程)
内在无序蛋白质
生物系统
化学
材料科学
粘弹性
流变学
联轴节(管道)
电流(流体)
静电学
分子生物物理学
作者
Keerthivasan Muthukumar,Dinesh Sundaravadivelu Devarajan,Young Chan Kim,Jeetain Mittal
标识
DOI:10.1073/pnas.2518384122
摘要
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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