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BayesWHAM: A Bayesian approach for free energy estimation, reweighting, and uncertainty quantification in the weighted histogram analysis method.
Andrew L. Ferguson
Published in:
J. Comput. Chem. (2017)
Keyphrases
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histogram analysis
mutual information
free energy
image processing
probabilistic model
parameter estimation
cross validation
machine learning
similarity measure
high dimensional
k means
input data
random sampling