title: mCSM-AB: a web server for predicting antibody-antigen affinity changes upon mutation with graph-based signatures.
abstract: Computational methods have traditionally struggled to predict the effect of mutations in antibody-antigen complexes on binding affinity. This has limited their usefulness during antibody engineering and development, and their ability to predict biologically relevant escape mutations. Here we present mCSM-AB, a user-friendly web server for accurately predicting antibody-antigen affinity changes upon mutation which relies on graph-based signatures. We show that mCSM-AB performs better than comparable methods that have been previously used for antibody engineering. mCSM-AB web server is available at http://structure.bioc.cam.ac.uk/mcsm_ab.
authors.affiliation: Centro de Pesquisas René Rachou, Fundação Oswaldo Cruz, Belo Horizonte 30190-002, Brazil douglas.pires@cpqrr.fiocruz.br.
authors.forename: Douglas E V
authors.initials: DE
authors.lastname: Pires
authors.affiliation: Centro de Pesquisas René Rachou, Fundação Oswaldo Cruz, Belo Horizonte 30190-002, Brazil Department of Biochemistry, University of Cambridge, Cambridge CB2 1GA, UK Department of Biochemistry, University of Melbourne, Victoria 3010, Australia dascher@svi.edu.au.
authors.forename: David B
authors.initials: DB
authors.lastname: Ascher
mesh_terms: D000906:Antibodies / Q000737:chemistry / Q000235:genetics* / Q000276:immunology*; D000915:Antibody Affinity / Q000235:genetics* / Q000276:immunology; D000936:Antigen-Antibody Complex / Q000737:chemistry / Q000235:genetics / Q000276:immunology; D000941:Antigens / Q000737:chemistry / Q000235:genetics / Q000276:immunology*; D019985:Benchmarking; D066264:Datasets as Topic; D015483:HIV Antibodies / Q000737:chemistry / Q000235:genetics / Q000276:immunology; D020407:Internet; D009154:Mutation; D015202:Protein Engineering; D012984:Software; D014612:Vaccines / Q000737:chemistry / Q000235:genetics / Q000276:immunology
chemical_list: D000906:Antibodies; D000936:Antigen-Antibody Complex; D000941:Antigens; D015483:HIV Antibodies; D014612:Vaccines