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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
  • 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