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Comparative Evaluation of MMPBSA and XSCORE To Compute Binding Free Energy in XIAP-Peptide Complexes.
Cristian Obiol-Pardo
Jaime Rubio-Martinez
Published in:
J. Chem. Inf. Model. (2007)
Keyphrases
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comparative evaluation
free energy
belief propagation
fixed point
competitive learning
upper bound
posterior distribution
neural network
feature selection
probability distribution
markov random field
prior knowledge
active learning