RING NMR dynamics: software for analysis of multiple NMR relaxation experiments

被引:12
|
作者
Beckwith, Martha A. [1 ]
Erazo-Colon, Teddy [1 ]
Johnson, Bruce A. [1 ]
机构
[1] CUNY Adv Sci Res Ctr, Struct Biol Initiat, 85 St Nicholas Terrace, New York, NY 10031 USA
基金
美国国家卫生研究院;
关键词
NMR relaxation; Software; Macromolecular dynamics; CHEMICAL-EXCHANGE; DISPERSION DATA; SPIN; PARAMETERS; DEPENDENCE; PROTEINS; DOMAIN;
D O I
10.1007/s10858-020-00350-w
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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 T-1 and T-2, as well as CEST and R-2 and R-1 rho 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.
引用
收藏
页码:9 / 23
页数:15
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