A challenging system: Free energy prediction for factor Xa.

Hannes G. Wallnoefer Klaus R. Liedl Thomas Fox

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

Keyphrases

free energy
belief propagation
fixed point
upper bound
posterior distribution
competitive learning
higher order
supervised learning
generalized belief propagation
neural network
machine learning
three dimensional
least squares
graphical models