Parameterization of an effective potential for protein–ligand binding from host–guest affinity data

Lignende værker

• Large scale affinity calculations of cyclodextrin host-guest complexes: Understanding the role of reorganization in the molecular recognition process
  af: Wickstrom, Lauren, et al.
  Udgivet: (2013)
• Prediction of SAMPL3 Host-Guest Affinities with the Binding Energy Distribution Analysis Method (BEDAM)
  af: Gallicchio, Emilio, et al.
  Udgivet: (2012)
• A combined treatment of hydration and dynamical effects for the modeling of host–guest binding thermodynamics: the SAMPL5 blinded challenge
  af: Pal, Rajat Kumar, et al.
  Udgivet: (2016)
• Host-Guest Complexes with Protein-Ligand-Like Affinities: Computational Analysis and Design
  af: Moghaddam, Sarvin, et al.
  Udgivet: (2009)
• Recent Theoretical and Computational Advances for Modeling Protein-Ligand Binding Affinities
  af: Gallicchio, Emilio, et al.
  Udgivet: (2011)