National Biomedical NMR Resource at Madison

描述(由申请人提供，六个项目，每个项目一句)：我们计划继续开发PINE-SPARKY，这是一个软件程序，旨在支持快速和高效的蛋白质核磁共振任务。我们建议扩展PINE使用的概率平台，以纳入NOESY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，以便它可以在广泛的计算机上运行，用作其他软件包的一部分，如HiFi-核磁共振，并可以分发。随着HiFi和PINE的整合，我们将能够实现从开始收集数据到完成化学位移指定和二级结构确定的显著节省；此外，我们计划在协议中包括NOESY数据收集和指定。该项目的目标是在布鲁克先进III控制台上实施HiFi-核磁共振和HiFi-C，其方式类似于已经为瓦里安光谱仪实施的版本。

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.