Protein dynamics: a study of the model-free analysis of NMR relaxation data

Abstract

The model-free analysis of NMR relaxation data, which is widely used for the study of protein dynamics, consists of the separation of the Brownian rotational diffusion from internal motions relative to the diffusion frame and the description of these internal motions by amplitude and timescale. Through parametric restriction and the addition of the Rex parameter a number of model-free models can be constructed. The model-free problem is often solved by initially estimating the diffusion tensor. The model-free models are then optimised and the best model is selected. Finally, the global model of all diffusion and model-free parameters is optimised. These steps are repeated until convergence. This thesis will investigate all aspects of the model-free data analysis chain. (For complete abstract open document)