论文标题

设计主动胶体文件夹

Designing active colloidal folders

论文作者

Das, Shibananda, Lange, Malte, Cacciuto, Angelo

论文摘要

是否可以利用主动力来将活性聚合物的一致塌陷驱动到折叠结构中?在本文中,我们介绍和执行一个简单的活动胶体文件夹模型的数值模拟,并表明将主动力纳入僵硬的胶体链中可以生成可设计和重新配置的二维折叠结构。关键特征是根据特定模式(序列)组织垂直于链主链的力。我们表征了该模型的物理特性,并使用多种数值技术执行了对新兴构象的结构和动力学的深入统计分析。我们发现了许多有趣的特征,包括活跃力的序列和折叠构象结构之间存在直接对应关系,我们发现了能够从构象转变为构象的高度移动紧凑结构的集合。最后,类似于蛋白质设计问题,我们讨论了一种能够通过对活性力序列进行采样来设计特定目标折叠的方法。

Can active forces be exploited to drive the consistent collapse of an active polymer into a folded structure? In this paper we introduce and perform numerical simulations of a simple model of active colloidal folders, and show that a judicious inclusion of active forces into a stiff colloidal chain can generate designable and reconfigurable two dimensional folded structures. The key feature is to organize the forces perpendicular to the chain backbone according to specific patterns (sequences). We characterize the physical properties of this model and perform, using a number of numerical techniques, an in-depth statistical analysis of structure and dynamics of the emerging conformations. We discovered a number of interesting features, including the existence of a direct correspondence between the sequence of the active forces and the structure of folded conformations, and we discover the existence of an ensemble of highly mobile compact structures capable of moving from conformation to conformation. Finally, akin to protein design problems, we discuss a method that is capable of designing specific target folds by sampling over sequences of active forces.

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