Efficiency of alchemical free energy simulations. II. Improvements for thermodynamic integration.

Stefan Bruckner Stefan Boresch

Published in: J. Comput. Chem. (2011)

Keyphrases

free energy
belief propagation
fixed point
upper bound
competitive learning
posterior distribution
approximate inference
markov random field
neural network
bayesian networks
least squares
graph cuts
unsupervised learning