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Addressing Limitations with the MM-GB/SA Scoring Procedure using the WaterMap Method and Free Energy Perturbation Calculations.
Cristiano Ruch Werneck Guimarães
Alan M. Mathiowetz
Published in:
J. Chem. Inf. Model. (2010)
Keyphrases
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similarity measure
probabilistic model
free energy
neural network
three dimensional
prior knowledge
belief propagation
prior information
active learning
input data
bayesian inference