title: Lipari-Szabo mapping: A graphical approach to Lipari-Szabo analysis of NMR relaxation data using reduced spectral density mapping.
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.
authors: Center for Advanced Biotechnology and Medicine, and Department of Chemistry, Rutgers, The State University of New Jersey, Piscataway 08854-8087, USA. andrec@lutece.rutgers.edu
authors: M
authors: M
authors: Andrec
authors: G T
authors: GT
authors: Montelione
authors: R M
authors: RM
authors: Levy
mesh_terms: D016880:Anisotropy; D001426:Bacterial Proteins / Q000737:chemistry; D007091:Image Processing, Computer-Assisted; D008962:Models, Theoretical; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*
chemical_list: D001426:Bacterial Proteins; C062260:cold shock protein CS7.4, Bacteria