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Free energies of hydration using restrained electrostatic potential derived charges via free energy perturbations and linear response.
Richard H. Henchman
Jonathan W. Essex
Published in:
J. Comput. Chem. (1999)
Keyphrases
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free energy
generalized belief propagation
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fixed point
upper bound
energy minimization
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higher order
posterior distribution
markov random field
energy function
machine learning
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