title: The targets of CAPRI rounds 20-27.
abstract: Eight CAPRI prediction rounds with a total of 15 targets were held in the years 2010-2012. Only five of the targets were protein assemblies comparable with those of earlier CAPRI rounds. In one target, the solvent positions at the interface had to be predicted; another was a protein-polysaccharide complex. The remainders were designed complexes issued from protein engineering experiments, and the prediction concerned either their structure or the binding affinity of the designed ligand. Affinity prediction was a new experiment in CAPRI, and a challenge for its participants. It pushed the community into developing novel procedures and score functions that will improve the performance of docking methods, help designing binders, and yield better structure-based estimates of the binding free energy of natural assemblies.
authors.affiliation: IBBMC, CNRS UMR 8619, Bât. 430, Université Paris-Sud, Orsay, 91405, France.
authors.forename: Joël
authors.initials: J
authors.lastname: Janin
mesh_terms: D019295:Computational Biology; D006801:Humans; D008024:Ligands; D062105:Molecular Docking Simulation; D011134:Polysaccharides / Q000737:chemistry*; D011485:Protein Binding; D011487:Protein Conformation; D025941:Protein Interaction Mapping; D011506:Proteins / Q000737:chemistry*; D012984:Software; D014867:Water / Q000737:chemistry*
chemical_list: D008024:Ligands; D011134:Polysaccharides; D011506:Proteins; D014867:Water
keywords: community-wide experiment; interface water binding affinity prediction; protein-polysaccharide interaction; protein-protein interaction