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Docking pose selection by interaction pattern graph similarity: application to the D3R grand challenge 2015.
Inna Slynko
Franck Da Silva
Guillaume Bret
Didier Rognan
Published in:
J. Comput. Aided Mol. Des. (2016)
Keyphrases
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grand challenge
similarity measure
pose estimation
pattern mining
random walk
bipartite graph
learning environment
distance measure
human computer interaction
structured data
euclidean distance
connected components
graph theory
weighted graph
graph mining
similarity assessment