EAGER: Pilot Studies for Representing and Archiving Integrative Structural Models of Macromolecular Machines and Supporting Data

EAGER：表示和归档高分子机器综合结构模型和支持数据的试点研究

• 批准号: 1519158
• 负责人: Helen Berman
• 金额: $ 30万
• 依托单位: Rutgers University New Brunswick
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-07-01 至 2017-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1519158&HistoricalAwards=false
• 关键词: EAGER; Pilot; Studies; Representing; Archiving

New techniques have emerged that allow the determination of the three dimensional structures of very large macromolecular assemblies. These larger biological systems play key roles in basic molecular biology, photosynthesis, nanotechnology, and health. Rather than relying on a single technique, the three dimensional structures of these molecular machines are being determined by integrating results from many different kinds of experiments using computational methods. In order to allow these integrative, or hybrid, models to enable future research by the broad community of scientists and also provide for the development of new educational platforms, it is essential to develop a way to archive these data and make them easily accessible. Several steps are necessary to achieve this goal. Current archiving of macromolecular structures depends on the fixed spatial positions of atoms; therefore the existing representation of these models must be extended to include both non-atomistic and spatio-temporal models. A new infrastructure will be developed that allows for the federation of different experimental repositories hosting data sets contributing to these integrative models. Once this infrastructure is developed, it will be necessary to prototype a system for depositing and archiving these new integrative models and supporting data.

已经出现了新的技术，允许非常大的大分子组装体的三维结构的测定。这些较大的生物系统在基础分子生物学、光合作用、纳米技术和健康方面发挥着关键作用。这些分子机器的三维结构不是依赖于单一的技术，而是通过使用计算方法整合许多不同类型实验的结果来确定的。为了使这些综合或混合模型能够使广大科学家社区进行未来的研究，并为开发新的教育平台提供条件，必须开发一种方法来存档这些数据并使其易于访问。要实现这一目标，必须采取若干步骤。目前大分子结构的存档依赖于原子的固定空间位置，因此这些模型的现有表示必须扩展到包括非原子和时空模型。将开发一个新的基础设施，允许联合不同的实验储存库托管有助于这些综合模型的数据集。一旦开发出这一基础设施，就有必要建立一个系统原型，用于存放和存档这些新的综合模型和支持数据。