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Antibodies are proteins in the immune system which bind to antigens to detect and neutralise them. The binding sites in an antibody-antigen interaction are known as the paratope and epitope, respectively, and the prediction of these regions…

Quantitative Methods · Quantitative Biology 2021-07-27 Alice Del Vecchio , Andreea Deac , Pietro Liò , Petar Veličković

The specific region of an antibody responsible for binding to an antigen, known as the paratope, is essential for immune recognition. Accurate identification of this small yet critical region can accelerate the development of therapeutic…

Biomolecules · Quantitative Biology 2025-10-08 Gabriel Athènes , Adam Woolfe , Thierry Mora , Aleksandra M. Walczak

Antibodies, a prominent class of approved biologics, play a crucial role in detecting foreign antigens. The effectiveness of antigen neutralisation and elimination hinges upon the strength, sensitivity, and specificity of the…

Quantitative Methods · Quantitative Biology 2023-09-06 Bruna Moreira da Silva , David B. Ascher , Nicholas Geard , Douglas E. V. Pires

Accurately predicting antibody-antigen binding residues, i.e., paratopes and epitopes, is crucial in antibody design. However, existing methods solely focus on uni-modal data (either sequence or structure), disregarding the complementary…

Biomolecules · Quantitative Biology 2024-06-03 Zhiwei Wang , Yongkang Wang , Wen Zhang

The high binding affinity of antibodies towards their cognate targets is key to eliciting effective immune responses, as well as to the use of antibodies as research and therapeutic tools. Here, we propose ANTIPASTI, a Convolutional Neural…

Quantitative Methods · Quantitative Biology 2024-10-03 Kevin Michalewicz , Mauricio Barahona , Barbara Bravi

An accurate binding affinity prediction between T-cell receptors and epitopes contributes decisively to develop successful immunotherapy strategies. Some state-of-the-art computational methods implement deep learning techniques by…

Machine Learning · Computer Science 2024-01-18 Etienne Goffinet , Raghvendra Mall , Ankita Singh , Rahul Kaushik , Filippo Castiglione

Accurate prediction of antibody-antigen (Ab-Ag) interfaces is critical for vaccine design, immunodiagnostics, and therapeutic antibody development. However, achieving reliable predictions from sequences alone remains a challenge. In this…

Machine Learning · Computer Science 2025-09-30 Zhang-Yu You , Jiahao Ma , Hongzong Li , Ye-Fan Hu , Jian-Dong Huang

Antibody binding site prediction plays a pivotal role in computational immunology and therapeutic antibody design. Existing sequence or structure methods rely on single-view features and fail to identify antibody-specific binding sites on…

Machine Learning · Computer Science 2025-09-12 Hongzong Li , Jiahao Ma , Zhanpeng Shi , Rui Xiao , Fanming Jin , Ye-Fan Hu , Hangjun Che , Jian-Dong Huang

Modern medicine requires generalised approaches to the synthesis and integration of multimodal data, often at different biological scales, that can be applied to a variety of evidence structures, such as complex disease analyses and…

Quantitative Methods · Quantitative Biology 2019-11-11 Devin Taylor , Simeon Spasov , Pietro Liò

Antibodies are versatile proteins that can bind to pathogens and provide effective protection for human body. Recently, deep learning-based computational antibody design has attracted popular attention since it automatically mines the…

Biomolecules · Quantitative Biology 2022-11-18 Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Tianbo Peng , Yingce Xia , Liang He , Shufang Xie , Tao Qin , Haiguang Liu , Kun He , Tie-Yan Liu

Antibody-antigen interactions play a crucial role in identifying and neutralizing harmful foreign molecules. In this paper, we investigate the optimal representation for predicting the binding sites in the two molecules and emphasize the…

Biomolecules · Quantitative Biology 2023-07-26 Marco Pegoraro , Clémentine Dominé , Emanuele Rodolà , Petar Veličković , Andreea Deac

Antibodies are vital proteins offering robust protection for the human body from pathogens. The development of general protein and antibody-specific pre-trained language models both facilitate antibody prediction tasks. However, there have…

Computation and Language · Computer Science 2023-03-03 Danqing Wang , Fei Ye , Hao Zhou

We propose a novel attention model that can accurately attends to target objects of various scales and shapes in images. The model is trained to gradually suppress irrelevant regions in an input image via a progressive attentive process…

Computer Vision and Pattern Recognition · Computer Science 2018-08-08 Paul Hongsuck Seo , Zhe Lin , Scott Cohen , Xiaohui Shen , Bohyung Han

Antibodies are Y-shaped proteins that protect the host by binding to specific antigens, and their binding is mainly determined by the Complementary Determining Regions (CDRs) in the antibody. Despite the great progress made in CDR design,…

Quantitative Methods · Quantitative Biology 2025-01-03 Lirong Wu , Haitao Lin , Yufei Huang , Zhangyang Gao , Cheng Tan , Yunfan Liu , Tailin Wu , Stan Z. Li

Identification of antimicrobial peptides is an important and necessary issue in today's era. Antimicrobial peptides are essential as an alternative to antibiotics for biomedical applications and many other practical applications. These…

Machine Learning · Computer Science 2025-12-17 Reyhaneh Keshavarzpour , Eghbal Mansoori

In the recent years, therapeutic use of antibodies has seen a huge growth, due to their inherent proprieties and technological advances in the methods used to study and characterize them. Effective design and engineering of antibodies for…

Biomolecules · Quantitative Biology 2020-05-08 Francesco Ambrosetti , Zuzana Jandova , Alexandre M. J. J. Bonvin

Accurate prediction of antibody-binding sites (epitopes) on antigens is crucial for vaccine design, immunodiagnostics, therapeutic antibody development, antibody engineering, research into autoimmune and allergic diseases, and advancing our…

Biomolecules · Quantitative Biology 2025-12-24 Zhangyu You , Jiahao Ma , Hongzong Li , Ye-Fan Hu , Jian-Dong Huang

Modern therapeutic antibody design often involves composing multi-part assemblages of individual functional domains, each of which may be derived from a different source or engineered independently. While these complex formats can expand…

Machine Learning · Computer Science 2025-09-25 Jiayi Xin , Aniruddh Raghu , Nick Bhattacharya , Adam Carr , Melanie Montgomery , Hunter Elliott

Antibodies play a central role in the immune response by specifically recognizing and neutralizing antigens, and therapeutic antibodies have become major drugs for cancer and autoimmune diseases. However, their discovery still relies on…

Quantitative Methods · Quantitative Biology 2026-05-29 Xiao Luo

The accurate prediction of antigen-antibody structures is essential for advancing immunology and therapeutic development, as it helps elucidate molecular interactions that underlie immune responses. Despite recent progress with deep…

Biomolecules · Quantitative Biology 2024-12-16 Jie Gao , Jing Hu , Lihang Liu , Yang Xue , Kunrui Zhu , Xiaonan Zhang , Xiaomin Fang
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