Quantitative Analysis of Transferred Nuclear Overhauser Effects in Complex Spin Systems by Full Relaxation Matrix Analysis

• Authors: J. Czaplicki , A. Milon
• Languages of publication: EN

Abstracts

EN

A computer program was developed for studying transferred nuclear Overhauser effects in complex spin systems. It permits quantitative analysis of nuclear Overhauser effects observed in biologically important systems, such as ligands interacting with transmembrane receptors in the presence of lipid bilayers. The full generalized relaxation matrix approach takes into account the local mobility, spin equivalence, finite exchange rates, and spectral overlap. The program can be used either to simulate theoretical nuclear Overhauser effect buildup curves or to fit a relaxation matrix of a given model to experimental data. Selected examples illustrate the program's performance.

Keywords

EN

82.56.Ub; 82.20.Wt; 07.05.Kf

Discipline

• 82.56.Ub: Structure determination with NMR
• 82.20.Wt: Computational modeling; simulation
• 07.05.Kf: Data analysis: algorithms and implementation; data management(for data analysis in nuclear physics, see 29.85.-c)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2005
• Volume: 108
• Issue: 1
• Pages: 25-32

Dates

published

2005-07

received

2005-04-24

Contributors

author

J. Czaplicki

• Institut de Pharmacologie et de Biologie Structurale, CNRS, 205, route de Narbonne, 31077 Toulouse, France

author

A. Milon

• Institut de Pharmacologie et de Biologie Structurale, CNRS, 205, route de Narbonne, 31077 Toulouse, France

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Identifiers

DOI

10.12693/APhysPolA.108.25