标题： RNA模拟的最小模型 显示英文标题

标题： Minimal Models for RNA Simulations

摘要： RNA作为生物学核心参与者的重要性怎么强调都不为过。 RNA的问题，比如驱动相分离的折叠和RNA-RNA相互作用，需要阳离子。 由于实验本身无法揭示阳离子-RNA相互作用的动态过程，因此需要经过良好校准的理论和计算来预测离子如何控制RNA的行为。 本文综述了不同分辨率下粗粒度模型的发展与应用。 我们重点关注单点和三交互位点相互作用模型，在这些模型中，静电相互作用通过显式和隐式表示的组合进行处理。 讨论了应用于核酶和核糖开关折叠的情况，并重点介绍了单价和二价阳离子的作用。 我们还讨论了低复杂度序列中的相分离现象。 指出了模拟复杂问题（如核糖体组装和RNA分子伴侣）所面临的挑战，这些问题需要开发RNA-蛋白质相互作用的模型。 显示英文摘要

摘要： The increasing importance of RNA as a prime player in biology can hardly be overstated. Problems in RNA, such as folding and RNA-RNA interactions that drive phase separation, require cations. Because experiments alone cannot reveal the dynamics of cation-RNA interactions, well calibrated theory and computations are needed to predict how ions control the behavior of RNA. The perspective describes the development and use of coarse-grained models at different resolutions. We focus on single- and three-interaction site interaction models, in which electrostatic interactions are treated using a combination of explicit and implicit representations. Applications to the folding of ribozymes and riboswitches are discussed, with emphasis on the role of monovalent and divalent cations. We also discuss phase separation in low complexity sequences. Challenges in the simulation of complex problems such as ribosome assembly and RNA chaperones, requiring developments of models for RNA-protein interactions, are pointed out.