Structural modeling of a cell is an evolving strategic direction in computational structural biology. It takes advantage of new powerful modeling techniques, deeper understanding of fundamental principles of molecular structure and assembly, and rapid growth of the amount of structural data generated by experimental techniques. Key modeling approaches to principal types of macromolecular assemblies in a cell already exist. The main challenge, along with the further development of these modeling approaches, is putting them together in a consistent, unified whole cell model. This opinion piece addresses the fundamental aspects of modeling macromolecular assemblies in a cell, and the state-of-the-art in modeling of the principal types of such assemblies.

中文翻译：

---

细胞中大分子相互作用的计算方法。

细胞的结构建模是计算结构生物学中不断发展的战略方向。它利用了新的强大建模技术，对分子结构和组装基本原理的更深刻理解以及实验技术生成的结构数据量的快速增长。已经存在用于细胞中大分子组装体主要类型的关键建模方法。随着这些建模方法的进一步发展，主要的挑战是将它们放到一个一致，统一的全细胞模型中。该观点论述了对细胞中的大分子组装体进行建模的基本方面，以及对此类组装体的主要类型进行建模的最新技术。