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Free energy of micellization of dodecyl phosphocholine (DPC) from molecular simulation: Hybrid PEACH-BAR method.
Xiaokun Zhang
James T. Kindt
Published in:
J. Comput. Chem. (2021)
Keyphrases
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segmentation method
objective function
probabilistic model
supervised learning
mutual information
free energy
neural network
machine learning
similarity measure
energy function
cross validation