Section: New Results

SAXS- and SANS-assisted modeling of proteins

We collaborated on data-assisted modeling of a KRAB-domain associated protein 1. Our work sheds light on its overall organization and combins solution scattering diffraction data, integrative modeling and single-molecule experiments [3].

We also participated in a combination of coarse-grained molecular dynamics simulations with previously measured small-angle scattering data to study the conformation of three-domain protein TIA-1 in solution. More precisely, we contributed with a specifically developed version of the Pepsi-SANS code. Our results suggest a general strategy for studying the conformation of multi-domain proteins in solution that combines coarse-grained simulations with small-angle X-ray scattering data that are generally most easy to obtain [13].