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Three-Dimensional Similarity in Molecular Docking: Prioritizing Ligand Poses on the Basis of Experimental Binding Modes.
Andrew Anighoro
Jürgen Bajorath
Published in:
J. Chem. Inf. Model. (2016)
Keyphrases
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three dimensional
multi view
experimental data
real world
similarity measure
genetic algorithm
feature vectors
distance measure
x ray
surface reconstruction
similarity metric
drug discovery
drug design
hiv protease