Sentences with phrase «refine macromolecular»

Molecular dynamics was used to refine macromolecular structures by incorporating the difference between the observed crystallographic structure factor amplitude and that calculated from an assumed atomic model into the total energy of the system.

Not exact matches

The presented work applies GPUs to rapidly refine initial placements of protein models into low resolution density maps thereby accelerating construction of atomic - detail models for large macromolecular assemblies.