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Epi4Ab: a data-driven prediction model of conformational epitopes for specific antibody VH/VL families and CDRs sequences.

Title: Epi4Ab: a data-driven prediction model of conformational epitopes for specific antibody VH/VL families and CDRs sequences.
Authors: Tran ND; Bioinformatics Institute, Agency for Science, Technology and Research (A*STAR), Matrix, Singapore.; Subramani K; Bioinformatics Institute, Agency for Science, Technology and Research (A*STAR), Matrix, Singapore.; Su CT; Bioinformatics Institute, Agency for Science, Technology and Research (A*STAR), Matrix, Singapore.
Source: MAbs [MAbs] 2025 Dec; Vol. 17 (1), pp. 2531227. Date of Electronic Publication: 2025 Jul 10.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Language: English
Journal Info: Publisher: Taylor & Francis Country of Publication: United States NLM ID: 101479829 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1942-0870 (Electronic) Linking ISSN: 19420862 NLM ISO Abbreviation: MAbs Subsets: MEDLINE
Imprint Name(s): Publication: 2015- : Philadelphia, PA : Taylor & Francis; Original Publication: Austin, TX : Landes Bioscience
MeSH Terms: Complementarity Determining Regions*/chemistry ; Complementarity Determining Regions*/immunology ; Complementarity Determining Regions*/genetics ; Epitopes*/chemistry ; Epitopes*/immunology ; Immunoglobulin Heavy Chains*/chemistry ; Immunoglobulin Heavy Chains*/immunology ; Immunoglobulin Light Chains*/chemistry ; Immunoglobulin Light Chains*/immunology ; Immunoglobulin Variable Region*/chemistry ; Immunoglobulin Variable Region*/immunology; Humans ; Models, Molecular
Abstract: Antibodies recognize antigens via complementary and structurally dependent mechanisms. Therefore, inclusion of antibody inputs is crucial for accurate epitope prediction. Given the limited availability of antibody-antigen complex structures, any epitope prediction model will require minimal yet sufficient antibody inputs to ensure precise epitope identification. To address this need, we introduce Epi4Ab, an antibody-specific epitope prediction model that focuses on identifying unique in-contact antigen residues for a given antibody. Epi4Ab requires minimal antibody inputs, specifically VH/VL families and complementarity-determining region sequences.
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Grant Information: NMRC-OFYIRG (MOH-000661) the National Medical Research Council
Contributed Indexing: Keywords: Antibody-specific epitope prediction; CDR sequences; VH-VL families; conformational epitope; graph-based model; machine learning
Substance Nomenclature: 0 (Complementarity Determining Regions); 0 (Epitopes); 0 (Immunoglobulin Heavy Chains); 0 (Immunoglobulin Light Chains); 0 (Immunoglobulin Variable Region)
Entry Date(s): Date Created: 20250710 Date Completed: 20250710 Latest Revision: 20260430
Update Code: 20260501
PubMed Central ID: PMC12247109
DOI: 10.1080/19420862.2025.2531227
PMID: 40637319
Database: MEDLINE

Journal Article; Research Support, Non-U.S. Gov't