National Biomedical NMR Resource at Madison

麦迪逊国家生物医学 NMR 资源

• 批准号: 8075158
• 负责人: JOHN LUTE MARKLEY
• 金额: $ 49.94万
• 依托单位: UNIVERSITY OF WISCONSIN-MADISON
• 依托单位国家: 美国
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-03-01 至 2011-06-09
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8075158
• 关键词: National; Biomedical; NMR; Resource; Madison

DESCRIPTION (Provided by Applicant, six projects, one sentence for each project): We plan to continue the development of PINE-SPARKY, a software program designed to support rapid and efficient protein NMR assignments. We propose to extend the probabilistic platform utilized by PINE to incorporate NOESY data, additional backbone and side chain experiments (such as CCH-TOCSY and HCCH-COSY), and four-dimensional NMR experiments. The goals of this project are to rewrite the CHIFIT software package so that it can be run on a wide range of computers, used as parts of other software packages such as HIFI-NMR, and can be distributed. With the integration of HIFI and PINE we will be able to realize significant savings from the start of data collection to complete chemical shift assignment and secondary structure determination; in addition, we plan to include NOESY data collection and assignment in the protocol. The goal of this project is to implement HIFI-NMR and HIFI-C on the Bruker Advance III console in a manner similar to the already implemented version for Varian spectrometers.

描述（由申请人提供，六个项目，每个项目一句话）：我们计划继续开发PINE-SPARKY，这是一个旨在支持快速有效的蛋白质NMR分配的软件程序。我们建议扩展PINE使用的概率平台，以纳入noesi数据，额外的主链和侧链实验（如CCH-TOCSY和HCCH-COSY），以及四维核磁共振实验。该项目的目标是重写CHIFIT软件包，使其可以在广泛的计算机上运行，作为其他软件包（如HIFI-NMR）的一部分使用，并且可以分发。通过HIFI和PINE的整合，我们将能够实现从数据收集开始到完成化学位移分配和二级结构确定的显著节省；此外，我们计划将NOESY数据收集和分配纳入协议。该项目的目标是在Bruker Advance III控制台上实现HIFI-NMR和HIFI-C，其方式类似于已经实现的Varian光谱仪版本。