---
_id: '8459'
abstract:
- lang: eng
  text: Nuclear magnetic resonance (NMR) is a powerful tool for observing the motion
    of biomolecules at the atomic level. One technique, the analysis of relaxation
    dispersion phenomenon, is highly suited for studying the kinetics and thermodynamics
    of biological processes. Built on top of the relax computational environment for
    NMR dynamics is a new dispersion analysis designed to be comprehensive, accurate
    and easy-to-use. The software supports more models, both numeric and analytic,
    than current solutions. An automated protocol, available for scripting and driving
    the graphical user interface (GUI), is designed to simplify the analysis of dispersion
    data for NMR spectroscopists. Decreases in optimization time are granted by parallelization
    for running on computer clusters and by skipping an initial grid search by using
    parameters from one solution as the starting point for another —using analytic
    model results for the numeric models, taking advantage of model nesting, and using
    averaged non-clustered results for the clustered analysis.
article_processing_charge: No
article_type: original
author:
- first_name: Sébastien
  full_name: Morin, Sébastien
  last_name: Morin
- first_name: Troels E
  full_name: Linnet, Troels E
  last_name: Linnet
- first_name: Mathilde
  full_name: Lescanne, Mathilde
  last_name: Lescanne
- first_name: Paul
  full_name: Schanda, Paul
  id: 7B541462-FAF6-11E9-A490-E8DFE5697425
  last_name: Schanda
  orcid: 0000-0002-9350-7606
- first_name: Gary S
  full_name: Thompson, Gary S
  last_name: Thompson
- first_name: Martin
  full_name: Tollinger, Martin
  last_name: Tollinger
- first_name: Kaare
  full_name: Teilum, Kaare
  last_name: Teilum
- first_name: Stéphane
  full_name: Gagné, Stéphane
  last_name: Gagné
- first_name: Dominique
  full_name: Marion, Dominique
  last_name: Marion
- first_name: Christian
  full_name: Griesinger, Christian
  last_name: Griesinger
- first_name: Martin
  full_name: Blackledge, Martin
  last_name: Blackledge
- first_name: Edward J
  full_name: d’Auvergne, Edward J
  last_name: d’Auvergne
citation:
  ama: 'Morin S, Linnet TE, Lescanne M, et al. Relax: The analysis of biomolecular
    kinetics and thermodynamics using NMR relaxation dispersion data. <i>Bioinformatics</i>.
    2014;30(15):2219-2220. doi:<a href="https://doi.org/10.1093/bioinformatics/btu166">10.1093/bioinformatics/btu166</a>'
  apa: 'Morin, S., Linnet, T. E., Lescanne, M., Schanda, P., Thompson, G. S., Tollinger,
    M., … d’Auvergne, E. J. (2014). Relax: The analysis of biomolecular kinetics and
    thermodynamics using NMR relaxation dispersion data. <i>Bioinformatics</i>. Oxford
    University Press. <a href="https://doi.org/10.1093/bioinformatics/btu166">https://doi.org/10.1093/bioinformatics/btu166</a>'
  chicago: 'Morin, Sébastien, Troels E Linnet, Mathilde Lescanne, Paul Schanda, Gary
    S Thompson, Martin Tollinger, Kaare Teilum, et al. “Relax: The Analysis of Biomolecular
    Kinetics and Thermodynamics Using NMR Relaxation Dispersion Data.” <i>Bioinformatics</i>.
    Oxford University Press, 2014. <a href="https://doi.org/10.1093/bioinformatics/btu166">https://doi.org/10.1093/bioinformatics/btu166</a>.'
  ieee: 'S. Morin <i>et al.</i>, “Relax: The analysis of biomolecular kinetics and
    thermodynamics using NMR relaxation dispersion data,” <i>Bioinformatics</i>, vol.
    30, no. 15. Oxford University Press, pp. 2219–2220, 2014.'
  ista: 'Morin S, Linnet TE, Lescanne M, Schanda P, Thompson GS, Tollinger M, Teilum
    K, Gagné S, Marion D, Griesinger C, Blackledge M, d’Auvergne EJ. 2014. Relax:
    The analysis of biomolecular kinetics and thermodynamics using NMR relaxation
    dispersion data. Bioinformatics. 30(15), 2219–2220.'
  mla: 'Morin, Sébastien, et al. “Relax: The Analysis of Biomolecular Kinetics and
    Thermodynamics Using NMR Relaxation Dispersion Data.” <i>Bioinformatics</i>, vol.
    30, no. 15, Oxford University Press, 2014, pp. 2219–20, doi:<a href="https://doi.org/10.1093/bioinformatics/btu166">10.1093/bioinformatics/btu166</a>.'
  short: S. Morin, T.E. Linnet, M. Lescanne, P. Schanda, G.S. Thompson, M. Tollinger,
    K. Teilum, S. Gagné, D. Marion, C. Griesinger, M. Blackledge, E.J. d’Auvergne,
    Bioinformatics 30 (2014) 2219–2220.
date_created: 2020-09-18T10:08:07Z
date_published: 2014-08-01T00:00:00Z
date_updated: 2021-01-12T08:19:25Z
day: '01'
doi: 10.1093/bioinformatics/btu166
extern: '1'
intvolume: '        30'
issue: '15'
keyword:
- Statistics and Probability
- Computational Theory and Mathematics
- Biochemistry
- Molecular Biology
- Computational Mathematics
- Computer Science Applications
language:
- iso: eng
month: '08'
oa_version: None
page: 2219-2220
publication: Bioinformatics
publication_identifier:
  issn:
  - 1367-4803
  - 1460-2059
publication_status: published
publisher: Oxford University Press
quality_controlled: '1'
related_material:
  link:
  - relation: erratum
    url: https://doi.org/10.1093/bioinformatics/btz397
status: public
title: 'Relax: The analysis of biomolecular kinetics and thermodynamics using NMR
  relaxation dispersion data'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 30
year: '2014'
...