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BayesWHAM: A Bayesian approach for free energy estimation, reweighting, and uncertainty quantification in the

Andrew L Ferguson1,2

  • 1Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois, 61801.

Journal of Computational Chemistry
|May 6, 2017
PubMed

Keywords:
Bayesian inferencefree energy surfaceshistogram reweightingumbrella samplingweighted histogram analysis method

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