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Binding affinity prediction with different force fields: Examination of the linear interaction energy method.
Martin Almlöf
Bjørn Olav Brandsdal
Johan Åqvist
Published in:
J. Comput. Chem. (2004)
Keyphrases
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pairwise
computational cost
preprocessing
cost function
experimental evaluation
high accuracy
detection method
linear prediction
dynamic programming
synthetic data
minimum energy
objective function
correlation coefficient
closed form
energy consumption
prediction accuracy
support vector machine svm