Articles | Volume 2, issue 1
https://doi.org/10.5194/mr-2-251-2021
https://doi.org/10.5194/mr-2-251-2021
Research article
 | 
05 May 2021
Research article |  | 05 May 2021

Bootstrap aggregation for model selection in the model-free formalism

Timothy Crawley and Arthur G. Palmer III

Related authors

Approximate representations of shaped pulses using the homotopy analysis method
Timothy Crawley and Arthur G. Palmer III
Magn. Reson., 2, 175–186, https://doi.org/10.5194/mr-2-175-2021,https://doi.org/10.5194/mr-2-175-2021, 2021
Short summary

Related subject area

Field: Liquid-state NMR | Topic: Theory
Visualization of dynamics in coupled multi-spin systems
Jingyan Xu, Dmitry Budker, and Danila A. Barskiy
Magn. Reson., 3, 145–160, https://doi.org/10.5194/mr-3-145-2022,https://doi.org/10.5194/mr-3-145-2022, 2022
Short summary
Radiation damping strongly perturbs remote resonances in the presence of homonuclear mixing
Philippe Pelupessy
Magn. Reson., 3, 43–51, https://doi.org/10.5194/mr-3-43-2022,https://doi.org/10.5194/mr-3-43-2022, 2022
Short summary
Spin relaxation: is there anything new under the Sun?
Bogdan A. Rodin and Daniel Abergel
Magn. Reson., 3, 27–41, https://doi.org/10.5194/mr-3-27-2022,https://doi.org/10.5194/mr-3-27-2022, 2022
Short summary
The Lindbladian form and the reincarnation of Felix Bloch's generalized theory of relaxation
Thomas M. Barbara
Magn. Reson., 2, 689–698, https://doi.org/10.5194/mr-2-689-2021,https://doi.org/10.5194/mr-2-689-2021, 2021
Short summary
Detecting anisotropic segmental dynamics in disordered proteins by cross-correlated spin relaxation
Clemens Kauffmann, Irene Ceccolini, Georg Kontaxis, and Robert Konrat
Magn. Reson., 2, 557–569, https://doi.org/10.5194/mr-2-557-2021,https://doi.org/10.5194/mr-2-557-2021, 2021
Short summary

Cited articles

Abergel, D., Volpato, A., Coutant, E. P., and Polimeno, A.: On the reliability of NMR relaxation data analyses: A Markov Chain Monte Carlo approach, J. Magn. Reson., 246, 94–103, 2014. a
Abyzov, A., Salvi, N., Schneider, R., Maurin, D., Ruigrok, R. W., Jensen, M. R., and Blackledge, M.: Identification of dynamic modes in an intrinsically disordered protein using temperature-dependent NMR relaxation, J. Am. Chem. Soc., 138, 6240–6251, 2016. a
Box, G. E. P.: Science and statistics, J. Am. Stat. Assoc., 71, 791–799, 1976. a
Breiman, L.: Bagging predictors, Mach. Learn., 24, 123–140, 1996. a
Buja, A. and Stuetzle, W.: Observations on bagging, Stat. Sin., 16, 323–351, 2006. a, b
Download
Short summary
NMR relaxation rate constants are powerful probes of the functional dynamics of biological macromolecules, such as proteins and nucleic acids. However, variations in choice of models used to analyze relaxation data obscure variations due to critical biological or chemical effects. Bootstrap aggregation, a recently developed statistical method, circumvents the model selection problem and enables more consistent and insightful interpretation of NMR relaxation data.