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J. Martin Research Fellowship"},{"DOI":"10.13039\/501100000925","name":"National Health and Medical Research Council","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000925","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000925","name":"NHMRC","doi-asserted-by":"publisher","award":["APP1072476"],"award-info":[{"award-number":["APP1072476"]}],"id":[{"id":"10.13039\/501100000925","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Victorian Government\u2019s OIS Program"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2020,3,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Motivation<\/jats:title>\n                  <jats:p>A lack of accurate computational tools to guide rational mutagenesis has made affinity maturation a recurrent challenge in antibody (Ab) development. We previously showed that graph-based signatures can be used to predict the effects of mutations on Ab binding affinity.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Results<\/jats:title>\n                  <jats:p>Here we present an updated and refined version of this approach, mCSM-AB2, capable of accurately modelling the effects of mutations on Ab\u2013antigen 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\u2019s correlation of 0.73 and 0.77 across training and blind tests, respectively, outperforming available methods currently used for rational Ab engineering.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>mCSM-AB2 is available as a user-friendly and freely accessible web server providing rapid analysis of both individual mutations or the entire binding interface to guide rational antibody affinity maturation at http:\/\/biosig.unimelb.edu.au\/mcsm_ab2<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Supplementary information<\/jats:title>\n                  <jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btz779","type":"journal-article","created":{"date-parts":[[2019,10,24]],"date-time":"2019-10-24T18:39:35Z","timestamp":1571942375000},"page":"1453-1459","source":"Crossref","is-referenced-by-count":72,"title":["mCSM-AB2: guiding rational antibody design using graph-based signatures"],"prefix":"10.1093","volume":"36","author":[{"given":"Yoochan","family":"Myung","sequence":"first","affiliation":[{"name":"Department of Biochemistry and Molecular Biology"},{"name":"ACRF Facility for Innovative Cancer Drug Discovery, Bio21 Institute, University of Melbourne , Melbourne, VIC 3010, Australia"},{"name":"Structural Computational Biology and Clinical Informatics , Baker Heart and Diabetes Institute, Melbourne, VIC 3004, Australia"}]},{"given":"Carlos H M","family":"Rodrigues","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology"},{"name":"ACRF Facility for Innovative Cancer Drug Discovery, Bio21 Institute, University of Melbourne , Melbourne, VIC 3010, Australia"},{"name":"Structural Computational Biology and Clinical Informatics , Baker Heart and Diabetes Institute, Melbourne, VIC 3004, Australia"}]},{"given":"David B","family":"Ascher","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology"},{"name":"ACRF Facility for Innovative Cancer Drug Discovery, Bio21 Institute, University of Melbourne , Melbourne, VIC 3010, Australia"},{"name":"Structural Computational Biology and Clinical Informatics , Baker Heart and Diabetes Institute, Melbourne, VIC 3004, Australia"},{"name":"Department of Biochemistry, University of Cambridge , Cambridge CB2 1GA, UK"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3004-2119","authenticated-orcid":false,"given":"Douglas E V","family":"Pires","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology"},{"name":"ACRF Facility for Innovative Cancer Drug Discovery, Bio21 Institute, University of Melbourne , Melbourne, VIC 3010, Australia"},{"name":"Structural Computational Biology and Clinical Informatics , Baker Heart and Diabetes Institute, Melbourne, VIC 3004, Australia"},{"name":"School of Computing and Information Systems, University of Melbourne , Melbourne, VIC 3010, Australia"}]}],"member":"286","published-online":{"date-parts":[[2019,10,26]]},"reference":[{"key":"2023060910270926600_btz779-B1","doi-asserted-by":"crossref","first-page":"553","DOI":"10.1080\/17460441.2017.1322579","article-title":"Combating mutations in genetic disease and drug resistance: understanding molecular mechanisms to guide drug design","volume":"12","author":"Albanaz","year":"2017","journal-title":"Expert Opin. 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