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    Genome Biol. 2008;9(3):R52. Epub 2008 Mar 10.

    Functionally important segments in proteins dissected using Gene Ontology and geometric clustering of peptide fragments.

    Manikandan K, Pal D, Ramakumar S, Brener NE, Iyengar SS, Seetharaman G.

    Bioinformatics Centre, Indian Institute of Science, Bangalore 560012, India. kmani@embl-hamburg.de

    We have developed a geometric clustering algorithm using backbone phi,psi angles to group conformationally similar peptide fragments of any length. By labeling each fragment in the cluster with the level-specific Gene Ontology 'molecular function' term of its protein, we are able to compute statistics for molecular function-propensity and p-value of individual fragments in the cluster. Clustering-cum-statistical analysis for peptide fragments 8 residues in length and with only trans peptide bonds shows that molecular function propensities > or =20 and p-values < or =0.05 can dissect fragments within a protein linked to the molecular function.

    PMID: 18331637 [PubMed - indexed for MEDLINE]

    PMCID: 2397504

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