Abstract The development of switchable mechanically interlocked molecular architectures (MIMAs) is an active area of experimental and theoretical research because the environmental-responsiveness of these systems makes them desirable candidates for incorporation into molecular machines. Presented here is a review of the recent literature that reports theoretical and computational studies of these topologically complex systems. Modelling strategies that have been applied to switchable MIMAs are analysed and outstanding challenges to theory and computation are highlighted.

中文翻译：

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模拟可切换机械互锁分子结构的进展

摘要 可切换机械互锁分子结构 (MIMA) 的发展是实验和理论研究的活跃领域，因为这些系统的环境响应能力使其成为结合到分子机器中的理想候选者。这里介绍的是对最近报道这些拓扑复杂系统的理论和计算研究的文献的回顾。分析了已应用于可切换 MIMA 的建模策略，并强调了理论和计算方面的突出挑战。