Functional properties of modern engineering products result from merging the geometry and material properties of underlying components into sophisticated overall assemblies. The foundation of this design process is an integration of computer aided design (CAD) tools that allow rapid geometric modifications with robust simulation tools to guide design iterations (i.e. computer-aided engineering, CAE). Recently, DNA has been used to make nanodevices for a myriad of applications across fields including medicine, nanomanufacturing, synthetic biology, biosensing, and biophysics. However, currently these self-assembled DNA nanodevices rely primarily on geometric design, and hence, they have not demonstrated the same sophistication as real-life products. We present an iterative design pipeline for DNA assemblies that integrates CAE based on coarse-grained molecular dynamics with a versatile CAD approach that combines top-down automation with bottom-up control over geometry. This intuitive framework redefines the scope of structural complexity and enhances mechanical and dynamic design of DNA assemblies.

中文翻译：

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整合DNA组装的计算机辅助工程和计算机辅助设计

现代工程产品的功能特性是通过将基础组件的几何和材料特性合并为复杂的整体组件而产生的。该设计过程的基础是计算机辅助设计（CAD）工具的集成，该工具允许通过强大的仿真工具快速进行几何修改，以指导设计迭代（例如，计算机辅助工程，CAE）。最近，DNA已被用于制造纳米器件，其在医学，纳米制造，合成生物学，生物传感和生物物理学等众多领域得到广泛应用。但是，目前这些自组装的DNA纳米器件主要依赖于几何设计，因此，它们还没有表现出与现实生活中的产品相同的复杂性。我们提出了一种用于DNA装配的迭代设计流程，该流程将基于粗粒度分子动力学的CAE与将自上而下的自动化与自下而上的几何控制相结合的通用CAD方法集成在一起。这种直观的框架重新定义了结构复杂性的范围，并增强了DNA组件的机械和动态设计。