This project examines protein complexes that are associated to neurodegenerative diseases using high performance computing. The aim is to explore the dynamic changes in complexes due to the inhibitors or stimulators of various proteins. The protein regulators can have major impact on protein dynamics which also effects on the protein complex. This study focus on protein phosphatase 2 (PP2A) and its regulator proteins, Prolyl oligopeptidase (PREP) and Midline1 (MID1). We will study the protein complexes by applying the protein-protein docking tools and the stability and dynamics of complexes with molecular dynamics.

2025

2027