有源噪声对过渡路径动力学的影响

IF 2.6 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS
K. Goswami, R. Metzler
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引用次数: 3

摘要

我们提出了现有模型的扩展,该模型描述了生物分子反应,如蛋白质折叠或配体结合,通常被视为双阱势中扩散粒子的屏障穿越。除了热噪声外,还引入了基于Ornstein-Uhlenbeck过程建模的主动噪声。在此框架内,我们研究了克服能量势垒的欠阻尼粒子的过渡路径特性,并明确地展示了这些特性如何受到粒子的活性和持久性的影响。我们的理论研究表明,通过降低(有效)势垒高度,活性粒子可以在相对较短的时间尺度内穿过势垒。特别地,我们研究了在不同摩擦极限下,主动力的持续时间如何改变过渡路径时间(TPT)。有趣的是,在我们的一个模型中,我们发现了在过阻尼极限中不存在的TPT的非单调行为。本文提出的框架可以用于设计非平衡环境中的反应,特别是在活性波动使系统处于不平衡状态的活生物细胞内。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Effects of active noise on transition-path dynamics
We propose an extension of the existing model describing a biomolecular reaction such as protein folding or ligand binding which is usually visualised as the barrier crossing of a diffusing particle in a double-well potential. In addition to the thermal noise, an active noise modelled in terms of an Ornstein–Uhlenbeck process is introduced to the dynamics. Within this framework, we investigate the transition-path properties of an underdamped particle surmounting an energy barrier, and we show explicitly how these properties are affected by the activity and persistence of the particle. Our theoretical study suggests that an active particle can cross the barrier at comparatively shorter timescales by lowering the (effective) barrier height. In particular, we study how the persistence time of the active force alters the transition-path time (TPT) at different friction limits. Interestingly, in one of our models we find a nonmonotonic behaviour of the TPT which is absent in the overdamped limit. The framework presented here can be useful in designing a reaction in a non-equilibrium environment, particularly inside a living biological cell in which active fluctuations keep the system out of equilibrium.
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来源期刊
Journal of Physics Complexity
Journal of Physics Complexity Computer Science-Information Systems
CiteScore
4.30
自引率
11.10%
发文量
45
审稿时长
14 weeks
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