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Partial atomic charges and their impact on the free energy of solvation.
Joakim P. M. Jämbeck
Francesca Mocci
Alexander Lyubartsev
Aatto Laaksonen
Published in:
J. Comput. Chem. (2013)
Keyphrases
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free energy
belief propagation
upper bound
fixed point
competitive learning
graphical models
approximate inference
three dimensional
graph cuts
posterior distribution
image sequences
image registration
higher order
markov random field
message passing
generalized belief propagation