易碎细丝装配动力学的精确数值解

B. Ganapol
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引用次数: 2

摘要

蛋白质聚集是通过自组装发生的,这是一个尚未完全了解的过程。在最近的一篇文章中,Knowles和他的同事(2009)提出了淀粉样蛋白纤维通过二次而不是一次成核生长的分析理论。值得注意的是,仅用一个动力学参数,作者就能够统一各种实验数据的生长特性。从本质上讲,他们似乎已经揭示了控制长丝伸长演变的潜在异速生长定律,这仅仅是从一个主方程中获得的两个耦合非线性常微分方程。虽然这项工作大大增加了我们对丝自组装的理解,但它需要链长度分布矩的“近似”解析解表示。如果这始终是正确的,那么这种标度定律的发现就不常见了。在这里,我们证明了用纯数值方法也能得到同样的结果。此外,所使用的数值方法具有仅基于基本有限差分格式和收敛加速的耦合常微分方程(ode)的高精度求解策略。一旦建立了可靠的数值解,量纲分析就提供了标度定律。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
An Accurate Numerical Solution to the Kinetics of Breakable Filament Assembly
Proteinaceous aggregation occurs through self-assembly—a process not entirely understood. In a recent article, Knowles and colleagues (2009) presented an analytical theory for amyloid fibril growth via secondary rather than primary nucleation. Remarkably, with only a single kinetic parameter, the authors were able to unify growth characteristics for a variety of experimental data. In essence, they seem to have uncovered the underlying allometric law governing the evolution of filament elongation simply from two coupled nonlinear ordinary differential equations originally obtained from a master equation. While this work adds significantly to our understanding of filament self-assembly, it required an “approximate” analytical solution representation for the moments of the chain length distribution. If this were always true, the discovery of such scaling laws would be infrequent. Here, we show that the same results are found by purely numerical means. In addition, the numerical method used features a highly accurate solution strategy for the coupled Ordinary Differential Equations (ODEs) based only on a fundamental finite difference scheme and convergence acceleration. Once a reliable numerical solution has been established, a dimensional analysis then provides the scaling laws.
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来源期刊
Transport Theory and Statistical Physics
Transport Theory and Statistical Physics 物理-物理:数学物理
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