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Division of the QM/MM systems for simulating the (−)-cocaine hydrolysis catalyzed by the A199S/F227A/S287G/A328W/Y332G mutant of BChE. Atoms in blue are treated by QM method. Three boundary carbon atoms (Cα or Cβ, colored in red) are treated with the improved pseudobond parameters.35 All other atoms belong to the MM subsystem.
