Name
Abstract | ||
|---|---|---|
Knowledge of ligand-binding sites of proteins provides invaluable information for functional studies, drug design and protein design. Recent progress in ligand-binding-site prediction methods has demonstrated that using information from similar proteins of known structures can improve predictions. The GalaxySite web server, freely accessible at http://galaxy.seoklab.org/site, combines such information with molecular docking for more precise binding-site prediction for non-metal ligands. According to the recent critical assessments of structure prediction methods held in 2010 and 2012, this server was found to be superior or comparable to other state-of-the-art programs in the category of ligand-binding-site prediction. A strong merit of the GalaxySite program is that it provides additional predictions on binding ligands and their binding poses in terms of the optimized 3D coordinates of the protein-ligand complexes, whereas other methods predict only identities of binding-site residues or copy binding geometry from similar proteins. The additional information on the specific binding geometry would be very useful for applications in functional studies and computer-aided drug discovery. |
Year | DOI | Venue |
|---|---|---|
2014 | 10.1093/nar/gku321 | NUCLEIC ACIDS RESEARCH |
Keywords | Field | DocType |
internet,binding sites,protein conformation,proteins,ligands | Docking (molecular),Drug discovery,Binding site,Biology,Ligand (biochemistry),Protein–ligand docking,Molecular Docking Simulation,Protein design,Bioinformatics,Computational biology,Genetics,Protein structure | Journal |
Volume | Issue | ISSN |
42 | W1 | 0305-1048 |
Citations | PageRank | References |
9 | 0.54 | 17 |
Authors | ||
4 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Lim Heo | 1 | 47 | 4.56 |
| Woong-Hee Shin | 2 | 59 | 5.51 |
| Myeong Sup Lee | 3 | 9 | 0.54 |
| Chaok Seok | 4 | 163 | 15.89 |