NEW ALGORITHMS FOR NMR STRUCTURE DETERMINATION OF PROTEINS

蛋白质核磁共振结构测定的新算法

• 批准号: 6314227
• 负责人: RICHARD A FRIESNER
• 金额: $ 4.36万
• 依托单位: COLUMBIA UNIV NEW YORK MORNINGSIDE
• 依托单位国家: 美国
• 财政年份: 2000
• 资助国家: 美国
• 起止时间: 2000-05-05 至 2002-04-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6314227
• 关键词: biological products; biomedical resource; computers; proteins; statistics /biometry; technology /technique

Wearedevelopingnewalgorithmsfordeterminationofprotein structures via NMR spectroscopy. By using the protein folding algorithms developed in the Friesner laboratory, we expect to be able to determine low resolution structures (3-5A RMS)with a small number of distance constraints, which will be easily obtained from an initial set of NMR data. This low resolution structure will then allow new experiments to be designed efficiently so as to quickly resolve the remaining NOE peaks, thus substantially reducing the time necessary to produce a high resolution structure. Results thus far are quite encouraging, using simulated data sets for myoglobin, 1-CTF, and lysozyme.

Wearedevelopingnewalgorithmsfordeterminationofprotein结构 通过核磁共振波谱。通过使用蛋白质折叠算法 在弗里斯纳实验室开发的，我们希望能够 确定低分辨率结构(3-5A均方根) 距离约束，这将很容易从初始 一组核磁共振数据。这种低分辨率结构将允许新的 要高效地设计实验，以便快速解决 剩余的NOE峰值，从而大大减少了必要的时间 产生高分辨率的结构。到目前为止，结果相当不错 令人鼓舞的是，使用肌红蛋白、1-CTF和 溶菌酶。