title: The FunFOLD2 server for the prediction of protein-ligand interactions.
abstract: The FunFOLD2 server is a new independent server that integrates our novel protein-ligand binding site and quality assessment protocols for the prediction of protein function (FN) from sequence via structure. Our guiding principles were, first, to provide a simple unified resource to make our function prediction software easily accessible to all via a simple web interface and, second, to produce integrated output for predictions that can be easily interpreted. The server provides a clean web interface so that results can be viewed on a single page and interpreted by non-experts at a glance. The output for the prediction is an image of the top predicted tertiary structure annotated to indicate putative ligand-binding site residues. The results page also includes a list of the most likely binding site residues and the types of predicted ligands and their frequencies in similar structures. The protein-ligand interactions can also be interactively visualized in 3D using the Jmol plug-in. The raw machine readable data are provided for developers, which comply with the Critical Assessment of Techniques for Protein Structure Prediction data standards for FN predictions. The FunFOLD2 webserver is freely available to all at the following web site: http://www.reading.ac.uk/bioinf/FunFOLD/FunFOLD_form_2_0.html.
authors.affiliation: Laboratoire de génomique et biochimie du métabolisme, Genoscope, Institut de Génomique, Commissariat à l'Energie Atomique et aux Energies Alternatives, Evry, Essonne 91057, France. danroche@genoscope.cns.fr
authors.forename: Daniel B
authors.initials: DB
authors.lastname: Roche
authors.forename: Maria T
authors.initials: MT
authors.lastname: Buenavista
authors.forename: Liam J
authors.initials: LJ
authors.lastname: McGuffin
mesh_terms: D000465:Algorithms; D000626:Aminopeptidases / Q000737:chemistry; D001665:Binding Sites; D020407:Internet; D008024:Ligands; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D012984:Software
chemical_list: D008024:Ligands; D011506:Proteins; D000626:Aminopeptidases