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Single-step perturbations to calculate free energy differences from unphysical reference states: Limits on size, flexibility, and character.

Chris OostenbrinkWilfred F. van Gunsteren
Published in: J. Comput. Chem. (2003)
Keyphrases
  • single step
  • free energy
  • multi step
  • belief propagation
  • competitive learning
  • upper bound
  • fixed point
  • dynamic programming
  • markov random field
  • graph cuts
  • approximate inference