GTP hydrolysis by the Ran-RanGAP complex

<p><strong>1K9D_MD_initial.7z:</strong>&nbsp;PDB&nbsp;and PSF files of the model system of Ran-RanGAP complexed with the GTP utilized in the classical and QM/MM simulations;</p> <p><strong>qmpart_pes.7z:</strong>&nbsp;coordinates of the QM subsystems obtained for all stationary points (ES, TS1, INT, TS2 and PROD) on the potential energy surface;</p> <p><strong>ES_QMMM-MD.7z:</strong> trajectory of the QM subsystem of the ES complex obtained in the QM/MM MD run.</p>