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Lipari–Szabo mapping: A graphical approach to Lipari–Szabo analysis of NMR relaxation data using reduced spectral density mapping

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Abstract

In this paper, we explore connections between the Lipari–Szabo formalism and reduced spectral density mapping, and show how spectral density estimates can be associated with Lipari–Szabo parameters via a simple geometric construction which we call Lipari–Szabo mapping. This relationship can be used to estimate Lipari–Szabo parameters from spectral density estimates without the need for nonlinear optimization, and to perform `model selection' in a graphical manner. The Lipari–Szabo map also provides insight into the Lipari–Szabo model, and allows us to determine when a given set of experimental spectral densities are inconsistent with the Lipari–Szabo formalism. Practical applications of Lipari–Szabo mapping in conjunction with more traditional analysis methods are discussed.

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Authors and Affiliations

  1. Center for Advanced Biotechnology and Medicine, USA

    Michael Andrec & Gaetano T. Montelione

  2. Department of Chemistry, Wright-Rieman Laboratories, USA

    Ronald M. Levy

Authors
  1. Michael Andrec
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  2. Gaetano T. Montelione
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  3. Ronald M. Levy
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Andrec, M., Montelione, G.T. & Levy, R.M. Lipari–Szabo mapping: A graphical approach to Lipari–Szabo analysis of NMR relaxation data using reduced spectral density mapping. J Biomol NMR 18, 83–100 (2000). https://doi.org/10.1023/A:1008302101116

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