| Literature DB >> 23900782 |
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.Entities:
Keywords: community-wide experiment; interface water binding affinity prediction; protein-polysaccharide interaction; protein-protein interaction
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Year: 2013 PMID: 23900782 DOI: 10.1002/prot.24375
Source DB: PubMed Journal: Proteins ISSN: 0887-3585