ISSN:
0749-1581
Keywords:
Proton spin relaxation
;
Proton magnetization spin dependence
;
Computer simulation
;
Streptomyces subtilisin inhibitor
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A computer program has been developed which can calculate the time dependence of individual proton magnetizations in a protein, for a variety of relaxation measurements in solution, using non-selective and selective excitation pulses. The basic design and capability of the program are described, together with its limitations. The program is used to simulate proton relaxation experiments by non-selective and selective excitation, and to simulate spin diffusion in a typical globular protein Streptomyces subtilisin inhibitor (SSI). The mechanism of selective spin diffusion in SSI is discussed based on a comparison of the calculated results with results of cross-saturation experiments.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260280208
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