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Estimation of relative binding free energy based on a free energy variational principle for the FKBP-ligand system.
Takeshi Ashida
Takeshi Kikuchi
Published in:
J. Comput. Aided Mol. Des. (2013)
Keyphrases
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free energy
variational principle
competitive learning
upper bound
variational formulation
three dimensional
approximate inference
belief propagation
parameter estimation
posterior distribution
self organizing maps
multi view
fixed point
graphical models
k means
pairwise
lower bound
computer vision