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AntiFormer: graph enhanced large language model for binding affinity prediction
Wang, Qing1; Feng, Yuzhou2,3; Wang, Yanfei1; Li, Bo4; Wen, Jianguo5; Zhou, Xiaobo5; Song, Qianqian1
2024-09
Source PublicationBriefings in Bioinformatics
ISSN1467-5463
Volume25Issue:5Pages:bbae403
Abstract

Antibodies play a pivotal role in immune defense and serve as key therapeutic agents. The process of affinity maturation, wherein antibodies evolve through somatic mutations to achieve heightened specificity and affinity to target antigens, is crucial for effective immune response. Despite their significance, assessing antibody–antigen binding affinity remains challenging due to limitations in conventional wet lab techniques. To address this, we introduce AntiFormer, a graph-based large language model designed to predict antibody binding affinity. AntiFormer incorporates sequence information into a graph-based framework, allowing for precise prediction of binding affinity. Through extensive evaluations, AntiFormer demonstrates superior performance compared with existing methods, offering accurate predictions with reduced computational time. Application of AntiFormer to severe acute respiratory syndrome coronavirus 2 patient samples reveals antibodies with strong neutralizing capabilities, providing insights for therapeutic development and vaccination strategies. Furthermore, analysis of individual samples following influenza vaccination elucidates differences in antibody response between young and older adults. AntiFormer identifies specific clonotypes with enhanced binding affinity post-vaccination, particularly in young individuals, suggesting age-related variations in immune response dynamics. Moreover, our findings underscore the importance of large clonotype category in driving affinity maturation and immune modulation. Overall, AntiFormer is a promising approach to accelerate antibody-based diagnostics and therapeutics, bridging the gap between traditional methods and complex antibody maturation processes.

KeywordAntibody Binding Affinity Antibody Maturation Large Language Model Single-cell Bcr
DOI10.1093/bib/bbae403
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaBiochemistry & Molecular Biology ; Mathematical & Computational Biology
WOS SubjectBiochemical Research Methods ; Mathematical & Computational Biology
WOS IDWOS:001293748600003
PublisherOXFORD UNIV PRESS, GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
Scopus ID2-s2.0-85201737235
Fulltext Access
Citation statistics
Document TypeJournal article
CollectionFaculty of Science and Technology
Corresponding AuthorWen, Jianguo; Zhou, Xiaobo; Song, Qianqian
Affiliation1.Department of Health Outcomes and Biomedical Informatics, College of Medicine, University of Florida, 32611, United States
2.Department of Laboratory Medicine, West China Biomedical Big Data Center, West China Hospital, Sichuan University, Chengdu, 610041, China
3.Shihezi University School of Medicine, Shihezi University, Shihezi, 832003, China
4.Department of Computer and Information Science, University of Macau, Macao
5.Center for Computational Systems Medicine, McWilliams School of Biomedical Informatics, The University of Texas Health Science Center at Houston, Houston, 77030, United States
Recommended Citation
GB/T 7714
Wang, Qing,Feng, Yuzhou,Wang, Yanfei,et al. AntiFormer: graph enhanced large language model for binding affinity prediction[J]. Briefings in Bioinformatics, 2024, 25(5), bbae403.
APA Wang, Qing., Feng, Yuzhou., Wang, Yanfei., Li, Bo., Wen, Jianguo., Zhou, Xiaobo., & Song, Qianqian (2024). AntiFormer: graph enhanced large language model for binding affinity prediction. Briefings in Bioinformatics, 25(5), bbae403.
MLA Wang, Qing,et al."AntiFormer: graph enhanced large language model for binding affinity prediction".Briefings in Bioinformatics 25.5(2024):bbae403.
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