title: New horizons in mouse immunoinformatics: reliable in silico prediction of mouse class I histocompatibility major complex peptide binding affinity.
abstract: Quantitative structure-activity relationship (QSAR) analysis is a main cornerstone of modern informatic disciplines. Predictive computational models, based on QSAR technology, of peptide-major histocompatibility complex (MHC) binding affinity have now become a vital component of modern day computational immunovaccinology. Historically, such approaches have been built around semi-qualitative, classification methods, but these are now giving way to quantitative regression methods. The additive method, an established immunoinformatics technique for the quantitative prediction of peptide-protein affinity, was used here to identify the sequence dependence of peptide binding specificity for three mouse class I MHC alleles: H2-D(b), H2-K(b) and H2-K(k). As we show, in terms of reliability the resulting models represent a significant advance on existing methods. They can be used for the accurate prediction of T-cell epitopes and are freely available online ( http://www.jenner.ac.uk/MHCPred).
authors.affiliation: Edward Jenner Institute for Vaccine Research, Compton, Berkshire RG20 7NN, UK. channa.hattotuwagama@jenner.ac.uk
authors.forename: Channa K
authors.initials: CK
authors.lastname: Hattotuwagama
authors.forename: Pingping
authors.initials: P
authors.lastname: Guan
authors.forename: Irini A
authors.initials: IA
authors.lastname: Doytchinova
authors.forename: Darren R
authors.initials: DR
authors.lastname: Flower
mesh_terms: D000465:Algorithms; D000596:Amino Acids / Q000737:chemistry / Q000378:metabolism; D000818:Animals; D001665:Binding Sites; D019295:Computational Biology / Q000379:methods*; D030562:Databases, Protein; D018984:Epitopes, T-Lymphocyte / Q000276:immunology / Q000378:metabolism; D006183:H-2 Antigens / Q000276:immunology / Q000378:metabolism; D015395:Histocompatibility Antigens Class I / Q000737:chemistry / Q000276:immunology / Q000378:metabolism*; D057927:Hydrophobic and Hydrophilic Interactions; D051379:Mice; D008958:Models, Molecular; D010455:Peptides / Q000378:metabolism*; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000596:Amino Acids; D018984:Epitopes, T-Lymphocyte; D006183:H-2 Antigens; C024755:H-2K(K) antigen; D015395:Histocompatibility Antigens Class I; D010455:Peptides