Linear-scaling soft-core scheme for alchemical free energy calculations.

Floris P. Buelens Helmut Grubmüller

Published in: J. Comput. Chem. (2012)

Keyphrases

free energy
generalized belief propagation
upper bound
belief propagation
fixed point
computer vision
image processing
competitive learning
approximate inference
clustering algorithm
objective function
prior knowledge
energy minimization
posterior distribution