Sensitivity in binding free energies due to protein reorganization

Lignende værker

• Is Ring Breaking Feasible in Relative Binding Free Energy Calculations?
  af: Liu, Shuai, et al.
  Udgivet: (2015)
• How To Deal with Multiple Binding Poses in Alchemical Relative Protein–Ligand Binding Free Energy Calculations
  af: Kaus, Joseph W., et al.
  Udgivet: (2015)
• Importance of Ligand Reorganization Free Energy in Protein-Ligand Binding-Affinity Prediction
  af: Yang, Chao-Yie, et al.
  Udgivet: (2009)
• Calculating the sensitivity and robustness of binding free energy calculations to force field parameters
  af: Rocklin, Gabriel J., et al.
  Udgivet: (2013)
• Predicting binding free energies: Frontiers and benchmarks
  af: Mobley, David L., et al.
  Udgivet: (2017)