Combined neutron spectroscopy and simulation study of intrinsically disorderdered proteins

Important results from the project

** Denna text är maskinöversatt ** The aim of the project was to study the dynamics of disordered proteins using neutron spectroscopy and computer simulations. The doctoral student has gained good experience of the process of neutron measurements, such as experience of writing applications for neutron time, preparing samples and being involved in "remote" measurements. Furthermore, the doctoral student has gained a good knowledge of the interpretation of neutron scattering data, where acquaintance with relevant software has been made.

Expected long term effects

The effect of protein concentration on mass-center dynamics has been studied. At lower concentrations, comparisons with atomistic simulations have been performed, where both standard single-chain and concentrated systems have been simulated. It has been clarified that for dynamics it is important to simulate more experimental conditions. Temperature effects have also been investigated, where solvent quality proved to be of great importance but cannot explain the entire effect. The results have been presented at a scientific conference and received with great interest.

Approach and implementation

** Denna text är maskinöversatt ** In this study, the focus has been on the entire process, from applying for neutron time, to understanding sample preparation and its consequences, to measurements, analysis of results and supplementary simulations to understand the underlying physics in molecular detail. The doctoral student has also developed his own software for analysis of results.