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Accuracy and convergence of free energy differences calculated from nonequilibrium switching processes.

Maik GoetteHelmut Grubmüller
Published in: J. Comput. Chem. (2009)
Keyphrases
  • free energy
  • upper bound
  • bethe free energy
  • competitive learning
  • approximate inference
  • neural network
  • clustering algorithm
  • fixed point