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

J Biomol NMR. 2021 Jan;75(1):9-23. doi: 10.1007/s10858-020-00350-w. Epub 2020 Oct 24.

Abstract

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 T1 and T2, as well as CEST and R2 and R 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.

Keywords: Macromolecular dynamics; NMR relaxation; Software.

MeSH terms

  • Algorithms
  • Magnetic Resonance Spectroscopy* / methods
  • Neural Networks, Computer
  • Nuclear Magnetic Resonance, Biomolecular* / methods
  • Proteins / chemistry
  • Software*
  • User-Computer Interface

Substances

  • Proteins