An isometry-invariant spectral approach for protein-protein docking

DOIResolve DOI:
AuthorSearch for: ; Search for: ; Search for: ; Search for:
Proceedings title13th IEEE International Conference on BioInformatics and BioEngineering
Conference2013 IEEE 13th International Conference on Bioinformatics and Bioengineering (BIBE), November 10-13 2013, Chania, Greece
Subjectmolecular biophysics; deformation; molecular configurations; proteins; spectral analysis
AbstractThe protein docking problem refers to the task of predicting the appropriate matching of one protein molecule (the receptor) to another (the ligand), when attempting to bind them to form a stable complex. Research shows that matching the three-dimensional geometric structures of proteins plays a key role in determining a so-called docking pair. However, the active sites which are responsible for the binding do not always present a rigid-body shape matching problem. Rather, they may undergo deformations when docking occurs, which complicates the process. To address this issue, we present an isometry-invariant and topologically robust partial shape descriptor method for finding complementary protein sites. Our method employs Heat Kernel Signature shape descriptors which are based on the diffusion of heat on surfaces. Our experimental results against the Protein-Protein Benchmark 4.0 demonstrate the viability of our approach.
Publication date
AffiliationInformation and Communication Technologies; National Research Council Canada
Peer reviewedYes
NPARC number23000453
Export citationExport as RIS
Report a correctionReport a correction
Record identifier675e4b14-deea-47b8-ab28-d88fd28fbbf4
Record created2016-07-20
Record modified2016-07-20
Bookmark and share
  • Share this page with Facebook (Opens in a new window)
  • Share this page with Twitter (Opens in a new window)
  • Share this page with Google+ (Opens in a new window)
  • Share this page with Delicious (Opens in a new window)