Resolving coupled pH titrations using alchemical free energy calculations.

Carter J. Wilson Bert L. de Groot Vytautas Gapsys

Published in: J. Comput. Chem. (2024)

Keyphrases

free energy
belief propagation
competitive learning
fixed point
upper bound
posterior distribution
graphical models
approximate inference
machine learning
pairwise
hidden markov models
probability distribution
input data
level set
image reconstruction
generalized belief propagation