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Implementation of adaptive integration method for free energy calculations in molecular systems.
Christopher A. Mirabzadeh
F. Marty Ytreberg
Published in:
PeerJ Prepr. (2019)
Keyphrases
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free energy
similarity measure
pairwise
prior knowledge
segmentation method
objective function
lower bound
probabilistic model
sufficient conditions
model selection
post processing
parameter estimation
bayesian inference