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Theoretical calculations: Can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?

Olexandr IsayevLeonid GorbJerzy Leszczynski
Published in: J. Comput. Chem. (2007)
Keyphrases
  • free energy
  • belief propagation
  • upper bound
  • markov random field
  • competitive learning
  • fixed point
  • distributed systems
  • approximate inference
  • markov chain monte carlo