Structural dynamics and catalytic mechanism of ATP13A2 (PARK9) from simulations
T. Mateeva, M. Klaehn, E. Rosta
This study models the structure and catalytic mechanism of ATP13A2 using MD and QM/MM simulations, revealing the role of Mg2+ ions and key residues in ATP phosphorylation.
bioRxiv · Jun 1, 2021Biophysics