title: Data-driven models for protein interaction and design.
abstract: We describe methods and results for four new types of challenge in the Critical Assessment of PRedicted Interactions (CAPRI). Two new challenges asked predictors to create models related to protein interface design. The first of these was to distinguish binding interfaces from designed nonbinding interfaces. The second was to predict the effects of all single-point mutations on hemagglutinin binding to two small designed proteins. Two additional challenges asked predictors to submit high-resolution structures for interface-bound crystallographic waters and for binding heparin to a putative glycosylase.
authors.affiliation: University of Wisconsin, Madison, Wisconsin.
authors.forename: Xiaolei
authors.initials: X
authors.lastname: Zhu
authors.forename: Spencer S
authors.initials: SS
authors.lastname: Ericksen
authors.forename: Omar N A
authors.initials: ON
authors.lastname: Demerdash
authors.forename: Julie C
authors.initials: JC
authors.lastname: Mitchell
mesh_terms: D000465:Algorithms; D001185:Artificial Intelligence; D018360:Crystallography, X-Ray; D006388:Hemagglutinins / Q000737:chemistry*; D006493:Heparin / Q000737:chemistry; D008958:Models, Molecular; D062105:Molecular Docking Simulation; D016296:Mutagenesis; D017354:Point Mutation; D011485:Protein Binding; D011487:Protein Conformation; D060066:Protein Interaction Maps; D012984:Software; D014867:Water / Q000737:chemistry
chemical_list: D006388:Hemagglutinins; D014867:Water; D006493:Heparin
keywords: binding prediction; heparin binding; machine learning; mutagenesis; protein interaction