From Dynamics to Structure and Function of Model Bio-Molecular Systems

The purpose of this thesis was to extend recent works on structure and dynamics of hydrogen bonded crystals to model bio-molecular systems and biological processes. The tools that are used are neutron scattering (NS) and density functional theory (DFT) and force field (FF) based simulation methods. The quantitative and parameter-free link (in the case of DFT methods) between structure and dynamics has been applied to strong hydrogen bonded crystals and bio-polymers such as collagen and DNA....