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
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).