Catalytic Reaction Mechanism of Acetylcholinesterase Determined by Born-Oppenheimer ab initio QM/MM Molecular Dynamics Simulations

Podobné jednotky

• Born-Oppenheimer ab initio QM/MM Molecular Dynamics Simulations of Enzyme Reactions
  Autor: Zhou, Yanzi, a další
  Vydáno: (2016)
• Born-Oppenheimer Ab Initio QM/MM Molecular Dynamics Simulations of the Hydrolysis Reaction Catalyzed by Protein Arginine Deiminase 4
  Autor: Ke, Zhihong, a další
  Vydáno: (2009)
• Increasing the Time Step with Mass Scaling in Born-Oppenheimer ab initio QM/MM Molecular Dynamics Simulations
  Autor: Zheng, Han, a další
  Vydáno: (2009)
• Active Site Cysteine Is Protonated in the PAD4 Michaelis Complex: Evidence from Born-Oppenheimer Ab Initio QM/MM Molecular Dynamics Simulations
  Autor: Ke, Zhihong, a další
  Vydáno: (2009)
• Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born-Oppenheimer ab initio QM/MM Molecular Dynamics Study
  Autor: Wu, Ruibo, a další
  Vydáno: (2009)