论文标题

肌动蛋白丝的拉伸,弯曲,剪切和扭曲II:多分辨率建模

On Stretching, Bending, Shearing and Twisting of Actin Filaments II: Multi-Resolution Modelling

论文作者

Gunaratne, Ravinda, Floyd, Carlos, Ni, Haoran, Papoian, Garegin A., Erban, Radek

论文摘要

我们提出了一种对F-肌动蛋白丝建模的多分辨率方法。它通过通过基于杆的宏观模型在模拟细丝的一部分中替换基于单体的模型,以较低的计算成本提供详细的微观信息。在基于单体的描述中,g-肌动蛋白由在表面上以双螺旋构型形成F-肌动蛋白的椭圆形表示。基于杆的模型更粗糙,其中使用cosserat模型描述了F-肌动蛋白,如前面的论文[Arxiv:2112.01480]。使用三个案例研究来说明多分辨率方法,旨在测试在拉伸,弯曲,剪切和扭曲下F-肌动蛋白的特性。该方法特别适合于丝状变形的细丝的情况。我们研究了使用标准的cosserat模型捕获F-肌动蛋白的完整扭转行为的局限性,并提出其扩展,这些扩展是说明了曲率依赖性刚度和扭转拉伸耦合以提高整体多分辨率方案的准确性。

We present a multi-resolution methodology for modelling F-actin filaments. It provides detailed microscopic information at the level of individual monomers at a lower computational cost by replacing the monomer-based model in parts of the simulated filament by a rod-based macroscopic model. In the monomer-based description, G-actin is represented by ellipsoids bound at the surface in a double helical configuration to form F-actin. The rod-based model is coarser, in which F-actin is described using a Cosserat model, as seen in the preceding paper [arXiv:2112.01480]. The multi-resolution methodology is illustrated using three case studies, designed to test the properties of F-actin under stretching, bending, shearing and twisting. The methodology is especially suited for situations where filaments are subject to bending deformations. We investigate the limitations of using the standard Cosserat model to capture the complete torsional behaviour of F-actin, presenting its extensions which account for curvature dependent rigidities and a twist-stretch coupling to improve accuracy of the overall multi-resolution scheme.

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