Sign in
Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function.
Runduo Liu
Wenchao Li
Yufen Yao
Yinuo Wu
Hai-Bin Luo
Zhe Li
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
</>
free energy
competitive learning
belief propagation
fixed point
posterior distribution
upper bound
unsupervised learning
approximate inference
least squares
generalized belief propagation
image processing
feature space
graphical models
message passing