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

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 dif...

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Detalles Bibliográficos
Autores principales: Beckwith, Martha A., Erazo-Colon, Teddy, Johnson, Bruce A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Netherlands 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7897199/
https://www.ncbi.nlm.nih.gov/pubmed/33098475
http://dx.doi.org/10.1007/s10858-020-00350-w
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author Beckwith, Martha A.
Erazo-Colon, Teddy
Johnson, Bruce A.
author_facet Beckwith, Martha A.
Erazo-Colon, Teddy
Johnson, Bruce A.
author_sort Beckwith, Martha A.
collection PubMed
description 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(1ρ) 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.
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spelling pubmed-78971992021-03-05 RING NMR dynamics: software for analysis of multiple NMR relaxation experiments Beckwith, Martha A. Erazo-Colon, Teddy Johnson, Bruce A. J Biomol NMR Article 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(1ρ) 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. Springer Netherlands 2020-10-24 2021 /pmc/articles/PMC7897199/ /pubmed/33098475 http://dx.doi.org/10.1007/s10858-020-00350-w Text en © The Author(s) 2020 Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Beckwith, Martha A.
Erazo-Colon, Teddy
Johnson, Bruce A.
RING NMR dynamics: software for analysis of multiple NMR relaxation experiments
title RING NMR dynamics: software for analysis of multiple NMR relaxation experiments
title_full RING NMR dynamics: software for analysis of multiple NMR relaxation experiments
title_fullStr RING NMR dynamics: software for analysis of multiple NMR relaxation experiments
title_full_unstemmed RING NMR dynamics: software for analysis of multiple NMR relaxation experiments
title_short RING NMR dynamics: software for analysis of multiple NMR relaxation experiments
title_sort ring nmr dynamics: software for analysis of multiple nmr relaxation experiments
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7897199/
https://www.ncbi.nlm.nih.gov/pubmed/33098475
http://dx.doi.org/10.1007/s10858-020-00350-w
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