Free-energy differences between states with different conformational ensembles.

José Antonio Garate Chris Oostenbrink

Published in: J. Comput. Chem. (2013)

Keyphrases

dynamic programming
free energy
belief propagation
competitive learning
upper bound
fixed point
approximate inference
graphical models
posterior distribution
decision trees
neural network
three dimensional
higher order
data clustering
message passing
generalized belief propagation