Application of a polarizable force field to calculations of relative protein–ligand binding affinities

Lignende værker

• Water properties from first principles: Simulations by a general-purpose quantum mechanical polarizable force field
  af: Donchev, A. G., et al.
  Udgivet: (2006)
• A quantum mechanical polarizable force field for biomolecular interactions
  af: Donchev, A. G., et al.
  Udgivet: (2005)
• Polarizable Simulations with Second order Interaction Model – force field and software for fast polarizable calculations: Parameters for small model systems and free energy calculations
  af: Kaminski, George A., et al.
  Udgivet: (2009)
• Trypsin-Ligand binding affinities calculated using an effective interaction entropy method under polarized force field
  af: Cong, Yalong, et al.
  Udgivet: (2017)
• Polarizable Mean-Field Model of Water for Biological Simulations with Amber and Charmm force fields
  af: Leontyev, Igor V., et al.
  Udgivet: (2012)