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CHARMM-GUI Ligand Binder for Absolute Binding Free Energy Calculations and Its Application.

Sunhwan JoWei JiangHui Sun LeeBenoît RouxWonpil Im
Published in: J. Chem. Inf. Model. (2013)
Keyphrases
  • free energy
  • belief propagation
  • posterior distribution
  • upper bound
  • fixed point
  • competitive learning
  • energy minimization
  • approximate inference