Recent progress in coarse-grained (CG) molecular modeling and simulation has facilitated an influx of computational studies on biological macromolecules and their complexes. Given the large separation of length-scales and time-scales that dictate macromolecular biophysics, CG modeling and simulation are well-suited to bridge the microscopic and mesoscopic or macroscopic details observed from all-atom molecular simulations and experiments, respectively. In this review, we first summarize recent innovations in the development of CG models, which broadly include structure-based, knowledge-based, and dynamics-based approaches. We then discuss recent applications of different classes of CG models to explore various macromolecular complexes. Finally, we conclude with an outlook for the future in this ever-growing field of biomolecular modeling.

中文翻译：

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大分子复合物的粗粒度建模研究进展。

粗粒（CG）分子建模和模拟的最新进展促进了对生物大分子及其复合物的计算研究的涌入。考虑到指示大分子生物物理学的长度标度和时间标度之间的较大分隔，CG模型和模拟非常适合桥接从全原子分子模拟和实验分别观察到的微观和中观或宏观细节。在这篇综述中，我们首先总结了CG模型开发中的最新创新，这些创新广泛地包括基于结构，基于知识和基于动力学的方法。然后，我们讨论了不同类别的CG模型的最新应用，以探索各种大分子复合物。最后，我们总结了在这个不断发展的生物分子建模领域中的未来前景。