M. Moll and L. E. Kavraki, “LabelHash: A Flexible and Extensible Method for Matching Structural Motifs,” in Automated Function Prediction / BioSapiens meeting (AFP-BioSapiens), 2008.
Publisher: http://dx.doi.org/10.1038/npre.2008.2199.1
PDF preprint: http://kavrakilab.org/publications/moll-kavraki2008labelhash-flexible-and.pdf