Design Automation of Polyomino Set That Self-Assembles into a Desired Shape

Yuta Matsumura, I. Kawamata, S. Murata
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Abstract

The problem of finding the smallest DNA tile set that self-assembles into a desired pattern or shape is a research focus that has been investigated by many researchers. In this paper, we take a polyomino, which is a non-square element composed of several connected square units, as an element of assembly and consider the design problem of the minimal set of polyominoes that self-assembles into a desired shape. We developed a self-assembly simulator of polyominoes based on the agent-based Monte Carlo method, in which the potential energy among the polyominoes is evaluated and the simulation state is updated toward the direction to decrease the total potential. Aggregated polyominoes are represented as an agent, which can move, merge, and split during the simulation. In order to search the minimal set of polyominoes, two-step evaluation strategy is adopted, because of enormous search space including many parameters such as the shape, the size, and the glue types attached to the polyominoes. The feasibility of the proposed method is shown through three examples with different size and complexity. 2012 ACM Subject Classification Applied computing → Systems biology; Applied computing → Chemistry; Hardware → Biology-related information processing
自组装成所需形状的多元醇装置的设计自动化
找到能够自我组装成所需图案或形状的最小DNA瓦片集是许多研究人员研究的一个焦点。在本文中,我们将一个由几个连接的正方形单元组成的非正方形单元polyomino作为组装单元,并考虑自组装成所需形状的最小polyomino集的设计问题。基于基于代理的蒙特卡罗方法,我们开发了一个多聚体的自组装模拟器,其中评估了多聚体之间的势能,并朝着降低总电势的方向更新模拟状态。聚合的多边形表示为代理,可以在模拟过程中移动、合并和拆分。为了搜索多面体的最小集合,采用了两步评估策略,因为巨大的搜索空间包括许多参数,如形状、大小和附着在多面体上的胶水类型。通过三个不同大小和复杂度的例子说明了该方法的可行性。2012 ACM学科分类应用计算→ 系统生物学;应用计算→ 化学硬件→ 生物学相关信息处理
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