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
  • [41] Combined smFRET and NMR analysis of riboswitch structural dynamics
    Bains, Jasleen Kaur
    Blechar, Julius
    de Jesus, Vanessa
    Meiser, Nathalie
    Zetzsche, Heidi
    Fuertig, Boris
    Schwalbe, Harald
    Hengesbach, Martin
    METHODS, 2019, 153 : 22 - 34
  • [42] NMR VIEW - A COMPUTER-PROGRAM FOR THE VISUALIZATION AND ANALYSIS OF NMR DATA
    JOHNSON, BA
    BLEVINS, RA
    JOURNAL OF BIOMOLECULAR NMR, 1994, 4 (05) : 603 - 614
  • [43] Mapping the Landscape of RNA Dynamics with NMR Spectroscopy
    Rinnenthal, Joerg
    Buck, Janina
    Ferner, Jan
    Wacker, Anna
    Fuertig, Boris
    Schwalbe, Harald
    ACCOUNTS OF CHEMICAL RESEARCH, 2011, 44 (12) : 1292 - 1301
  • [44] Rapid characterization of crude oil by NMR relaxation using new user-friendly software
    Canan, Talha Furkan
    Ok, Salim
    Al-Bazzaz, Waleed
    Ponnuswamy, Shunmugavel
    Fernandes, Michael
    Al-Shamali, Mustafa
    Qubian, Ali
    Sagidullin, Alexander
    FUEL, 2022, 320
  • [45] Larmor frequency selective model free analysis of protein NMR relaxation
    LeMaster, DM
    JOURNAL OF BIOMOLECULAR NMR, 1995, 6 (04) : 366 - 374
  • [46] Theoretical tools for the design of NMR relaxation dispersion pulse sequences
    Salvi, Nicola
    PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 2015, 88-89 : 105 - 115
  • [47] NMR Relaxation Dispersion Reveals Macrocycle Breathing Dynamics in a Cyclodextrin-based Rotaxane
    Stoffel, Shannon
    Zhang, Qi-Wei
    Li, Dong-Hao
    Smith, Bradley D.
    Peng, Jeffrey W.
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2020, 142 (16) : 7413 - 7424
  • [48] A subzero 1H NMR relaxation investigation of water dynamics in tomato pericarp
    Foucat, Loic
    Lahaye, Marc
    FOOD CHEMISTRY, 2014, 158 : 278 - 282
  • [49] Backbone dynamics of the cytotoxic ribonuclease α-sarcin by 15N NMR relaxation methods
    Pérez-Cañadillas, JM
    Guenneugues, M
    Campos-Olivas, R
    Santoro, J
    del Pozo, AM
    Gavilanes, JG
    Rico, M
    Bruix, M
    JOURNAL OF BIOMOLECULAR NMR, 2002, 24 (04) : 301 - 316
  • [50] Backbone dynamics of the cytotoxic Ribonuclease α-sarcin by 15N NMR relaxation methods
    José Manuel Pérez-Cañadillas
    Marc Guenneugues
    Ramón Campos-Olivas
    Jorge Santoro
    Alvaro Martínez del Pozo
    José G. Gavilanes
    Manuel Rico
    Marta Bruix
    Journal of Biomolecular NMR, 2002, 24 : 301 - 316