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A new method for estimating the relative binding free energy, derived from a free energy variational principle for the Pim-1-kinase-ligand and FKBP-ligand systems.
Takeshi Ashida
Takeshi Kikuchi
Published in:
J. Comput. Aided Mol. Des. (2020)
Keyphrases
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free energy
support vector
pairwise
dynamic programming
competitive learning
similarity measure
input data
sufficient conditions
em algorithm
segmentation method
bayesian inference