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Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores.
Mark L. Benson
John C. Faver
Melek N. Ucisik
Danial S. Dashti
Zheng Zheng
Kenneth M. Merz Jr.
Published in:
J. Comput. Aided Mol. Des. (2012)
Keyphrases
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free energy
hiv protease
belief propagation
upper bound
fixed point
competitive learning
posterior distribution
three dimensional
approximate inference
pairwise
information theoretic
probability distribution
incomplete data