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Replica state exchange metadynamics for improving the convergence of free energy estimates.

Raimondas GalvelisYuji Sugita
Published in: J. Comput. Chem. (2015)
Keyphrases
  • free energy
  • model selection
  • three dimensional
  • image sequences
  • prior knowledge
  • upper bound
  • competitive learning
  • bethe free energy