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Is Ring Breaking Feasible in Relative Binding Free Energy Calculations?

Shuai LiuLingle WangDavid L. Mobley
Published in: J. Chem. Inf. Model. (2015)
Keyphrases
  • free energy
  • belief propagation
  • fixed point
  • upper bound
  • posterior distribution
  • competitive learning
  • approximate inference
  • generalized belief propagation
  • prior knowledge
  • graphical models
  • stereo matching