Using AMBER18 for Relative Free Energy Calculations.

Lin Frank Song Tai-Sung Lee Chun Zhu Darrin M. York Kenneth M. Merz Jr.

Published in: J. Chem. Inf. Model. (2019)

Keyphrases

free energy
belief propagation
upper bound
fixed point
competitive learning
approximate inference
graphical models
posterior distribution
feature selection
clustering algorithm
lower bound
pairwise
probability distribution
graph cuts
energy minimization
generalized belief propagation