Efficient determination of the most favoured orientations of protein domains from paramagnetic NMR data

We study the inverse problem of the determination of the most favored relative orientations of moving protein domains from Residual Dipolar Coupling (RDC) 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.