mCSM-AB2: Guiding Rational Antibody Design Using Graph-Based Signatures.
Yoochan Myung, Carlos HM Rodrigues, David B Ascher, Douglas EV Pires
Bioinformatics | Oxford University Press | Published : 2020
MOTIVATION: A lack of accurate computational tools to guide rational mutagenesis has made affinity maturation a recurrent challenge in antibody development. We previously showed that graph-based signatures can be used to predict the effects of mutations on antibody binding affinity. RESULTS: Here we present an updated and refined version of this approach, mCSM-AB2, capable of accurately modelling the effects of mutations on antibody-antigen binding affinity, through the inclusion of evolutionary and energetic terms. Using a new and expanded database of over 1800 mutations with experimental binding measurements and structural information, mCSM-AB2 achieved a Pearson's correlation of 0.73 and ..View full abstract
Awarded by Fundacao de Amparo a Pesquisa do Estado de Minas Gerais (FAPEMIG)
Awarded by Jack Brockhoff Foundation
Awarded by C. J. Martin Research Fellowship from the National Health and Medical Research Council (NHMRC) of Australia
Y.M. and C.H.M.R were funded by the Melbourne Research Scholarship. D.B.A and D.E.V.P were funded by a Newton Fund RCUK-CONFAP Grant awarded by The Medical Research Council (MRC) and Fundacao de Amparo a Pesquisa do Estado de Minas Gerais (FAPEMIG) [MR/M026302/1]; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq); the Jack Brockhoff Foundation [JBF 4186, 2016]; and a C. J. Martin Research Fellowship from the National Health and Medical Research Council (NHMRC) of Australia [APP1072476]. Supported in part by the Victorian Government's OIS Program.