Advances in QM/MM Simulations for Organic and Enzymatic Reactions

Lignende værker

• Quantum and Molecular Mechanical (QM/MM) Monte Carlo Techniques for Modeling Condensed-Phase Reactions
  af: Acevedo, Orlando, et al.
  Udgivet: (2014)
• Enhancing Paradynamics for QM/MM Sampling of Enzymatic Reactions
  af: Lameira, Jerônimo, et al.
  Udgivet: (2016)
• Application of a BOSS – Gaussian Interface for QM/MM Simulations of Henry and Methyl Transfer Reactions
  af: Vilseck, Jonah Z., et al.
  Udgivet: (2015)
• QM/MM Modeling Finds Diels-Alder Reactions are Accelerated Less On the Surface of Water than In Water
  af: Thomas, Laura L., et al.
  Udgivet: (2010)
• On Possible Pitfalls in ab initio QM/MM Minimization Approaches For Studies of Enzymatic Reactions
  af: Klähn, Marco, et al.
  Udgivet: (2005)