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.