arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1202.6327cond-mat.softphysics.bio-ph
收藏

活纤维的模拟

Simulations of living filaments

Mathieu Caby, Priscilla Hardas, Sanoop Ramachandran, Jean-Paul Ryckaert

摘要:

我们提出了一个混合的分子动力学/多粒子碰撞动力学模型来模拟一组自组装的半柔性纤维和自由单体。此外,我们引入了一个Monte-Carlo计划来处理单个单体的添加(聚合)或去除(解聚),满足适当的统计力学框架内的细致平衡条件。这种基于蠕虫状链的细丝模型旨在表示两端具有不同反应速率的平衡聚合物,例如在不存在ATP水解和其他蛋白质的情况下自组装的ADP-肌动蛋白细丝。我们报道了平衡轨道上的细丝长度分布和相应的动力学涨落。潜在的概括这种方法,包括不可逆的步骤,如ATP-肌动蛋白水解进行了讨论。

英文摘要:

We propose a hybrid Molecular Dynamics/Multi-particle Collision Dynamics model to simulate a set of self-assembled semiflexible filaments and free monomers. Further, we introduce a Monte-Carlo scheme to deal with single monomer addition (polymerization) or removal (depolymerization), satisfying the detailed balance condition within a proper statistical mechanical framework. This model of filaments, based on the wormlike chain, aims to represent equilibrium polymers with distinct reaction rates at both ends, such as self-assembled ADP-actin filaments in the absence of ATP hydrolysis and other proteins. We report the distribution of filament lengths and the corresponding dynamical fluctuations on an equilibrium trajectory. Potential generalizations of this method to include irreversible steps like ATP-actin hydrolysis are discussed.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑