title: Computationally assisted engineering of protein cages.
abstract: A hybrid computational method incorporating topographic analysis of protein surfaces and free-energy calculations of protein-protein interactions in protein nanocages is described. This design strategy can be used to engineer protein cages for enhanced structural stability and assembly.
authors.affiliation: Department of Chemistry, School of Natural and Mathematical Sciences, King's College London, London, UK.
authors.forename: Maziar S
authors.initials: MS
authors.lastname: Ardejani
authors.forename: Brendan P
authors.initials: BP
authors.lastname: Orner
mesh_terms: D017076:Computer-Aided Design; D005293:Ferritins / Q000737:chemistry / Q000235:genetics; D008958:Models, Molecular; D016297:Mutagenesis, Site-Directed; D011485:Protein Binding; D011487:Protein Conformation; D015202:Protein Engineering / Q000379:methods*; D055503:Protein Multimerization; D011506:Proteins / Q000737:chemistry* / Q000235:genetics
chemical_list: D011506:Proteins; D005293:Ferritins