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
相关论文
共 50 条
  • [21] Existence of Singularities in NMR Relaxation Dispersion Profiles: Implications for Hidden Dynamics
    Chao, Fa-An
    Byrd, R. Andrew
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 146 (35) : 24467 - 24475
  • [22] NMR relaxation in cellulose pulp
    Blicharska, B
    Kluza, M
    COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 1996, 115 : 137 - 140
  • [23] Hydration water dynamics in biopolymers from NMR relaxation in the rotating frame
    Blicharska, Barbara
    Peemoeller, Hartwig
    Witek, Magdalena
    JOURNAL OF MAGNETIC RESONANCE, 2010, 207 (02) : 287 - 293
  • [24] Spectral estimation of NMR relaxation
    Naugler, DG
    Cushley, RJ
    JOURNAL OF MAGNETIC RESONANCE, 2000, 145 (02) : 209 - 215
  • [25] NMR Relaxation and Petrophysical Properties
    Fleury, Marc
    MAGNETIC RESONANCE IN POROUS MEDIA, 2011, 1330 : 9 - 12
  • [26] NMR INSIGHTS INTO THE DYNAMICS AND INTERACTIONS OF CFTR
    Forman-Kay, Julie D.
    PEDIATRIC PULMONOLOGY, 2010, : 144 - 146
  • [27] Four complementary theoretical approaches for the analysis of NMR paramagnetic relaxation
    Schaefle, N
    Sharp, R
    JOURNAL OF MAGNETIC RESONANCE, 2005, 176 (02) : 160 - 170
  • [28] Automated NMR relaxation dispersion data analysis using NESSY
    Michael Bieri
    Paul R Gooley
    BMC Bioinformatics, 12
  • [29] Time-domain signal modelling in multidimensional NMR experiments for estimation of relaxation parameters
    Matviychuk, Yevgen
    Bostock, Mark J.
    Nietlispach, Daniel
    Holland, Daniel J.
    JOURNAL OF BIOMOLECULAR NMR, 2019, 73 (3-4) : 93 - 104
  • [30] General order parameter based correlation analysis of protein backbone motions between experimental NMR relaxation measurements and molecular dynamics simulations
    Liu, Qing
    Shi, Chaowei
    Yu, Lu
    Zhang, Longhua
    Xiong, Ying
    Tian, Changlin
    BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2015, 457 (03) : 467 - 472