We study the inverse problem of the determination of the most favoured relative orientations of moving protein domains from residual dipolar coupling measurements. We present a numerical procedure based on the simplex method for the efficient determination of the maximum probability of a given relative orientation. We prove the convergence of the algorithm and present the results obtained both on synthetic and on experimental data.
Efficient determination of the most favored orientations of protein domains from paramagnetic NMR data / M. LONGINETTI; C. LUCHINAT; G. PARIGI; L. SGHERI. - In: INVERSE PROBLEMS. - ISSN 0266-5611. - STAMPA. - 22:(2006), pp. 1485-1502. [10.1088/0266-5611/22/4/019]
Efficient determination of the most favored orientations of protein domains from paramagnetic NMR data
LONGINETTI, MARCO;LUCHINAT, CLAUDIO;PARIGI, GIACOMO;
2006
Abstract
We study the inverse problem of the determination of the most favoured relative orientations of moving protein domains from residual dipolar coupling measurements. We present a numerical procedure based on the simplex method for the efficient determination of the maximum probability of a given relative orientation. We prove the convergence of the algorithm and present the results obtained both on synthetic and on experimental data.
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