Experimental validation of the docking orientation of Cdc25 with its Cdk2-CycA protein substrate

Study is conducted in which docked orientation for Cdc25B with its Cdk2-pTpY-CycA protein substrate is predicted by a rigid-body docking method and further the docked models with full-scale molecular dynamics simulations and minimization are refined. The stable ensemble structure is validated experimentally by a variety of in vitro techniques.