The new protocol - model-free models

The study of the dynamics of a macromolecule using model-free analysis to interpret the R1 and R2 relaxation rates together with the steady-state heteronuclear NOE brings two distinct, yet linked physical theories into play. The Brownian rotational diffusion of the molecule is the major contributor to relaxation. Although having less of an influence on relaxation the internal dynamics of individual nuclei within the molecule is nevertheless significant. The model-free description of the internal motion and the global diffusion of the entire molecule are theories which are linked due to their dependence on the same relaxation data. The model-free models for individual spin system constructed from the original and extended model-free theories (Lipari and Szabo, 1982b,a; Clore et al., 1990) are assembled using parametric restrictions, the dropping of insignificant parameters, and the addition of the chemical exchange parameter Rex. Labelled as m0 to m9 (Models 7.22.0-7.22.9 on page [*]) these models are an extended list of those in (Zhuravleva et al., 2004; Orekhov et al., 1999a; Fushman et al., 1997; Korzhnev et al., 2001).

The relax user manual (PDF), created 2016-10-28.