RCSB Protein Data Bank, Department of Chemistry and Chemical Biology, Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.
School of Life and Environmental Sciences, The University of Sydney, Sydney, NSW, Australia.
Adv Exp Med Biol. 2018;1105:261-272. doi: 10.1007/978-981-13-2200-6_16.
Integrative or hybrid structural biology involves the determination of three-dimensional structures of macromolecular assemblies by combining information from a variety of experimental and computational methods. Archiving the results of integrative/hybrid modeling methods have complex requirements and existing archiving mechanisms are insufficient to handle these pre-requisites. Three concepts important for archiving integrative/hybrid models are presented in this chapter: (1) building a federated network of structural model and experimental data archives, (2) development of a common set of data standards, and (3) creation of mechanisms for interoperation and data exchange among the repositories in a federation. Methods proposed for achieving these objectives are also discussed.
整合或混合结构生物学涉及通过结合来自各种实验和计算方法的信息来确定大分子组装体的三维结构。整合/混合建模方法的结果归档具有复杂的要求，现有的归档机制不足以处理这些前提条件。本章介绍了归档整合/混合模型的三个重要概念：(1)构建结构模型和实验数据档案的联合网络，(2)开发一套通用的数据标准，以及(3)创建联合档案库之间互操作和数据交换的机制。还讨论了为实现这些目标而提出的方法。
