Institute of Information Science, Academia Sinica



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TIGP--An application of network analysis in structural bioinformatics research

  • LecturerDr. Ming-Jing Hwang (Institute of Biomedical Sciences, Academia Sinica)
    Host: Miss Elsa Pan
  • Time2010-10-21 (Thu.) 14:00 – 15:00
  • LocationAuditorium 106 at new IIS Building
Abstract: In this study we propose to transform protein-ligand interactions into three-dimensional geometric networks, from which recurring network substructures, or network motifs, are selected and used to provide probability-ranked interaction templates with which to score protein-ligand docking solutions. A novel scoring function, MotifScore, was developed, which is non-energy-based, and docking is, instead, scored by counting the occurrences of motifs of protein-ligand interaction networks constructed using structures of protein-ligand complexes. Evaluation on a benchmark test set showed that MotifScore performed well compared to several energy-based scoring functions. (Xie & Hwang, BMC Bioinformatics 2010, 11:298).