Besides considerable scientific interest, protein-protein interactions have many societal applications, including development of new drugs and vaccines; in food formulation; and in environmentally friendly washing detergents. Neutron and X-ray scattering techniques offer exciting new ways to study such interaction at molecular length scales. However, to fully exploit new infrastructures such as ESS and MAX-IV, experimental data must be combined with models and simulations to extract the full molecular insight.

This is exactly where this project sets in: we will offer scattering users a new computational tool that can simulate scattering data of interacting proteins based on their 3D structure. This has traditionally been reserved to experts in simulations with access to vast computational resources. We propose a new set of tools to speed up this process by using existing regional infrastructures. Our methodology has been tested on e.g., antibodies and enzymatic detergents and offer a significant improvement over existing models that are mainly based on simple spheres.