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Theoretical calculations: Can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?
Olexandr Isayev
Leonid Gorb
Jerzy Leszczynski
Published in:
J. Comput. Chem. (2007)
Keyphrases
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free energy
belief propagation
upper bound
markov random field
competitive learning
fixed point
distributed systems
approximate inference
markov chain monte carlo