threading-based method (FINDSITE) for ligand-binding site prediction and functional annotation

• Published in: Proceedings of the National Academy of Sciences - PNAS Vol. 105; no. 1; pp. 129 - 134
• Main Authors: Brylinski, Michal, Skolnick, Jeffrey
• Format: Journal Article
• Language: English
• Published: United States National Academy of Sciences 08.01.2008; National Acad Sciences
• Subjects: Accuracy; Algorithms; Binding Sites; Biological Sciences; Biophysics - methods; Center of mass; Chemical properties; Computational Biology - methods; Crystal structure; Crystallography, X-Ray - methods; Datasets; Libraries; Ligands; Modeling; Models, Molecular; Models, Statistical; Molecular Conformation; Molecules; Nucleic acids; Predictions; Protein Binding; Protein Conformation; Protein Interaction Mapping; Proteins; Proteins - chemistry; Reproducibility of Results; Software

The detection of ligand-binding sites is often the starting point for protein function identification and drug discovery. Because of inaccuracies in predicted protein structures, extant binding pocket-detection methods are limited to experimentally solved structures. Here, FINDSITE, a method for lig...