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Continuum and discrete calculation of fractional contributions to solvation free energy.
Antonio Morreale
Josep Lluis Gelpí
F. Javier Luque
Modesto Orozco
Published in:
J. Comput. Chem. (2003)
Keyphrases
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higher order
free energy
belief propagation
markov random field
fixed point
upper bound
posterior distribution
loopy belief propagation
pairwise
approximate inference
competitive learning
graphical models
bayesian networks
energy minimization