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RING NMR dynamics: software for analysis of multiple NMR relaxation experiments
Journal of Biomolecular NMR ( IF 2.4 ) Pub Date : 2020-10-24 , DOI: 10.1007/s10858-020-00350-w
Martha A Beckwith 1 , Teddy Erazo-Colon 1 , Bruce A Johnson 1
Affiliation  

Molecular motions are fundamental to the existence of life, and NMR spectroscopy remains one of the most useful and powerful methods to measure their rates and molecular characteristics. Multiple experimental methods are available for measuring the NMR relaxation properties and these can require different methods for extracting model parameters. We present here a new software application, RING NMR Dynamics, that is designed to support analysis of multiple relaxation types. The initial release of RING NMR Dynamics supports the analysis of exponential decay experiments such as T1 and T2, as well as CEST and R2 and R relaxation dispersion. The software runs on multiple operating systems in both a command line mode and a user-friendly GUI that allows visualizing and simulating relaxation data. Interaction with another program, NMRFx Analyst, allows drilling down from the derived relaxation parameters to the raw spectral data.



中文翻译:

RING NMR 动力学:用于分析多个 NMR 弛豫实验的软件

分子运动是生命存在的基础,核磁共振波谱仍然是测量分子运动速率和分子特征的最有用和最有效的方法之一。有多种实验方法可用于测量 NMR 弛豫特性,这些方法可能需要不同的方法来提取模型参数。我们在此展示了一个新的软件应用程序 RING NMR Dynamics,它旨在支持多种弛豫类型的分析。RING NMR Dynamics 的初始版本支持指数衰减实验的分析,例如 T 1和 T 2,以及 CEST 和 R 2和 R 松弛色散。该软件以命令行模式和用户友好的 GUI 运行在多个操作系统上,允许可视化和模拟松弛数据。与另一个程序 NMRFx Analyst 的交互允许从导出的弛豫参数向下钻取原始光谱数据。

更新日期:2020-10-26
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