ArticleJournal of magnetic resonance (San Diego, Calif. : 1997)2017
Application of geometric approximation to the CPMG experiment: Two- and three-site exchange.
Article in Journal of magnetic resonance (San Diego, Calif. : 1997), 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Theoretical classification of exchange geometries from the perspective of NMR relaxation dispersion.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2021Article
- Protein Dynamics revealed by NMR Relaxation Methods.Emerging topics in life sciences · 2020Article
- Probing the Broad Time Scale and Heterogeneous Conformational Dynamics in the Catalytic Core of the Arf-GAP ASAP1 via Methyl Adiabatic Relaxation Dispersion.Journal of the American Chemical Society · 2019Article
- Chemical Exchange.Methods in enzymology · 2019Article
- General Expressions for Carr-Purcell-Meiboom-Gill Relaxation Dispersion for N-Site Chemical Exchange.Biochemistry · 2018Article
- Exploiting conformational plasticity in the AAA+ protein VCP/p97 to modify function.Proceedings of the National Academy of Sciences of the United States of America · 2017Article
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Authors and funding
2 authors.
Funding
Abstract
The Carr-Purcell-Meiboom-Gill (CPMG) experiment is one of the most classical and well-known relaxation dispersion experiments in NMR spectroscopy, and it has been successfully applied to characterize biologically relevant conformational dynamics in many cases. Although the data analysis of the CPMG experiment for the 2-site exchange model can be facilitated by analytical solutions, the data analysis in a more complex exchange model generally requires computationally-intensive numerical analysis. Recently, a powerful computational strategy, geometric approximation, has been proposed to provide approximate numerical solutions for the adiabatic relaxation dispersion experiments where analytical solutions are neither available nor feasible. Here, we demonstrate the general potential of geometric approximation by providing a data analysis solution of the CPMG experiment for both the traditional 2-site model and a linear 3-site exchange model. The approximate numerical solution deviates less than 0.5% from the numerical solution on average, and the new approach is computationally 60,000-fold more efficient than the numerical approach. Moreover, we find that accurate dynamic parameters can be determined in most cases, and, for a range of experimental conditions, the relaxation can be assumed to follow mono-exponential decay. The method is general and applicable to any CPMG RD experiment (e.g. N, C', C
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