Cargando…

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...

Descripción completa

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
Descripción
Sumario: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.