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arXiv 1807.04818cs.CG
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利用二维折叠瓦片实现三维结构的自组装

Self-Assembly of 3-D Structures Using 2-D Folding Tiles

Jerome Durand-Lose, Jacob Hendricks, Matthew J. Patitz, Ian Perkins, Michael Sharp

摘要:

自组装是一个普遍存在于自然界,尤其是生物系统中的过程。当相对简单的成分自发地组合成更复杂的结构时,就会发生这种现象。虽然这些系统激发了大量的研究来设计自组装系统的理论模型,甚至是基于实验室的实现,但这些人工模型和系统往往缺乏自然系统的强大功能之一(例如蛋白质的组装和折叠),即结构的动态可重构性。在本文中,我们提出了一个新的数学模型的自组装,抽象的瓷砖组装模型(aTAM)的基础上,称为柔性瓷砖组装模型(FTAM)。在FTAM中,各个部件是如aTAM中的2维正方形瓦片,但是在FTAM中,瓦片边缘之间的结合可以是柔性的,允许结合弯曲并且整个结构重新配置,从而允许2维部件形成3维结构。我们分析的权力和限制FTAM系统(1)演示如何灵活性可以被控制,以仔细地建立所需的结构,(2)显示如何灵活性可以被有益地利用,以形成结构,可以“有效地”重新配置成许多不同的配置和/或大大不同的配置。我们还表明,这样的权力是一个沉重的负担,在计算复杂性的模拟和预测证明,FTAM系统的重要属性,确定它们的存在是棘手的,即使是很容易计算的系统在较少的动态模型的属性。

英文摘要:

Self-assembly is a process which is ubiquitous in natural, especially biological systems. It occurs when groups of relatively simple components spontaneously combine to form more complex structures. While such systems have inspired a large amount of research into designing theoretical models of self-assembling systems, and even laboratory-based implementations of them, these artificial models and systems often tend to be lacking in one of the powerful features of natural systems (e.g. the assembly and folding of proteins), namely the dynamic reconfigurability of structures. In this paper, we present a new mathematical model of self-assembly, based on the abstract Tile Assembly Model (aTAM), called the Flexible Tile Assembly Model (FTAM). In the FTAM, the individual components are 2-dimensional square tiles as in the aTAM, but in the FTAM, bonds between the edges of tiles can be flexible, allowing bonds to flex and entire structures to reconfigure, thus allowing 2-dimensional components to form 3-dimensional structures. We analyze the powers and limitations of FTAM systems by (1) demonstrating how flexibility can be controlled to carefully build desired structures, and (2) showing how flexibility can be beneficially harnessed to form structures which can "efficiently" reconfigure into many different configurations and/or greatly varying configurations. We also show that with such power comes a heavy burden in terms of computational complexity of simulation and prediction by proving that, for important properties of FTAM systems, determining their existence is intractable, even for properties which are easily computed for systems in less dynamic models.

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