Macromolecular Structure in Refined Detail

精细细节的大分子结构

• 批准号: 8917570
• 负责人: Wayne Hendrickson
• 金额: $ 42.22万
• 依托单位: Columbia University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1990
• 资助国家: 美国
• 起止时间: 1990-01-01 至 1994-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8917570&HistoricalAwards=false
• 关键词: Macromolecular; Structure; Refined; Detail

The overall objective of this proposal is to contribute to a basic understanding of the functional properties of biological macromolecules as revealed in accurate atomic models. Such models are significant for the generation and testing of hypotheses directly related to biological action in diverse systems. Diffraction studies on crystals can provide detailed and comprehensive structural information on proteins and other macromolecules, and multidimensional NMR spectroscopy is emerging as an alternative source of such information. It is important that the atomic models derived from these experiments be defined as accurately as possible. Dr. Hendrickson is seeking here to develop methods for optimizing the accuracy of experimentally determined atomic models, to apply these refinement methods to specific biochemical problems, and to analyze in detail the structural and dynamic properties of the resulting models. In particular, (1) he will refine a number of significant biological macromolecules against x-ray diffraction data, and analyze the structural and dynamic properties of the resulting models, (2) he will identify attributes that characterize reliably determined structures, (3) he will attempt to enhance the efficiency and convenience of crystallographic refinement procedures, (4) he will strive to develop appropriate treatments for dynamic properties in crystal, (5) he will extend the method of stereochemically restrained refinement to problems in 2D NMR spectroscopy, and (6) he will continue to maintain and distribute a system of refinement programs.

本提案的总体目标是促进 基本了解生物的功能特性 大分子的精确原子模型。 等 模型对于生成和测试 与生物作用直接相关的假说 系统. 晶体衍射研究可以提供详细的 以及蛋白质和其他 大分子，多维核磁共振光谱正在出现 作为此类信息的替代来源。 重要的是 从这些实验中得出的原子模型 尽可能准确。 亨德里克森博士在这里寻求开发优化方法， 实验确定的原子模型的准确性，应用 这些改进方法，以具体的生物化学问题，并 详细地分析了结构和动力特性， 产生的模型。 具体而言，（1）他将完善一些 抗X射线衍射的重要生物大分子 数据，并分析了结构和动力特性的 结果模型，（2）他将识别属性， （3）确定可靠的结构;（4）尝试 为了提高晶体学的效率和便利性， 完善程序，（4）他将努力制定适当的 处理晶体中的动力学性质，（5）他将扩展 立体化学约束精化法 在2D NMR光谱学中，（6）他将继续保持， 分发一套完善的程序。