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Quantum mechanical binding free energy calculation for phosphopeptide inhibitors of the Lck SH2 domain.
Victor M. Anisimov
Claudio N. Cavasotto
Published in:
J. Comput. Chem. (2011)
Keyphrases
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free energy
belief propagation
fixed point
approximate inference
neural network
upper bound
maximum likelihood
image processing
similarity measure
k means
supervised learning
graphical models
unsupervised learning
bayesian inference