What's new? | Help
papy/
                

Use case 1: Protein theoretical model refinement.ΒΆ

This use case is a quite complex computational structural biology workflow expressed as a PaPy pipeline. This pipeline processes batches of homology models downloaded from the Database of Comparative Protein Structure Models (ModBase). It’s task is to energy-minimize and refine these theoretical structures by means of parallel molecular dynamics(MD) simulations.