Electronic Absorption Spectra from MM and ab initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein

Lignende værker

• Absorption Spectra of Photoactive Yellow Protein Chromophores in Vacuum
  af: Nielsen, I. B., et al.
  Udgivet: (2005)
• Elucidating Solvent Contributions to Solution Reactions with Ab Initio QM/MM Methods
  af: Hu, Hao, et al.
  Udgivet: (2010)
• An extensible interface for QM/MM molecular dynamics simulations with AMBER
  af: Götz, Andreas W., et al.
  Udgivet: (2013)
• Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations
  af: Pan, Xiaoliang, et al.
  Udgivet: (2018)
• On Possible Pitfalls in ab initio QM/MM Minimization Approaches For Studies of Enzymatic Reactions
  af: Klähn, Marco, et al.
  Udgivet: (2005)