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Mapping the Binding Hot Spots on Human Programmed Cell Death 1 and Its Ligand with Free-Energy Simulations.

Hanjing DingHui Liu
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • hot spots
  • free energy
  • belief propagation
  • upper bound
  • approximate inference
  • competitive learning
  • neural network
  • fixed point
  • posterior distribution
  • text mining
  • post processing
  • stereo matching