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Related papers: Tokenizing Loops of Antibodies

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The success of therapeutic antibodies relies on their ability to selectively bind antigens. AI-based antibody design protocols have shown promise in generating epitope-specific designs. Many of these protocols use an inverse folding step to…

Quantitative Methods · Quantitative Biology 2023-12-12 Divya Nori , Simon V. Mathis , Amir Shanehsazzadeh

Motivation: The clinical efficacy of antibody therapeutics critically depends on high-affinity target engagement, yet laboratory affinity-maturation campaigns are slow and costly. In computational settings, most protein language models…

Computational Engineering, Finance, and Science · Computer Science 2025-12-22 Xinyan Zhao , Yi-Ching Tang , Rivaaj Monsia , Victor J. Cantu , Ashwin Kumar Ramesh , Xiaozhong Liu , Zhiqiang An , Xiaoqian Jiang , Yejin Kim

Clinical decision support systems require models that are not only highly accurate but also equitable and sensitive to the implications of missed diagnoses. In this study, we introduce a knowledge-guided in-context learning (ICL) framework…

Machine Learning · Computer Science 2025-07-28 Fatemeh Nazary , Yashar Deldjoo , Tommaso Di Noia , Eugenio di Sciascio

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

The anti-cancer immune response relies on the bindings between T-cell receptors (TCRs) and antigens, which elicits adaptive immunity to eliminate tumor cells. This ability of the immune system to respond to novel various neoantigens arises…

Quantitative Methods · Quantitative Biology 2025-11-11 Xing Fang , Chenpeng Yu , Shiye Tian , Hui Liu

Recent advances in protein language models (PLMs) have demonstrated remarkable capabilities in understanding protein sequences. However, the extent to which different model architectures capture antibody-specific biological properties…

Machine Learning · Computer Science 2025-12-11 Mengren , Liu , Yixiang Zhang , Yiming , Zhang

Therapeutic antibodies are an essential and rapidly expanding drug modality. The binding specificity between antibodies and antigens is decided by complementarity-determining regions (CDRs) at the tips of these Y-shaped proteins. In this…

Biomolecules · Quantitative Biology 2023-11-29 Fang Wu , Stan Z. Li

We present a unified vision-language framework tailored for ENT endoscopy image analysis that simultaneously tackles three clinically-relevant tasks: image classification, image-to-image retrieval, and text-to-image retrieval. Unlike…

Computer Vision and Pattern Recognition · Computer Science 2025-09-03 Y Hop Nguyen , Doan Anh Phan Huu , Trung Thai Tran , Nhat Nam Mai , Van Toi Giap , Thao Thi Phuong Dao , Trung-Nghia Le

Despite the central role that antibodies play in the adaptive immune system and in biotechnology, much remains unknown about the quantitative relationship between an antibody's amino acid sequence and its antigen binding affinity. Here we…

Quantitative Methods · Quantitative Biology 2018-04-16 Rhys M. Adams , Thierry Mora , Aleksandra M. Walczak , Justin B. Kinney

Large language models (LLMs) exhibit remarkable in-context learning (ICL) capabilities. However, the underlying working mechanism of ICL remains poorly understood. Recent research presents two conflicting views on ICL: One emphasizes the…

Computation and Language · Computer Science 2024-10-10 Anhao Zhao , Fanghua Ye , Jinlan Fu , Xiaoyu Shen

Contrastive learning (CL) has become a powerful approach for learning representations from unlabeled images. However, existing CL methods focus predominantly on visual appearance features while neglecting topological characteristics (e.g.,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Guangyu Meng , Pengfei Gu , Peixian Liang , John P. Lalor , Erin Wolf Chambers , Danny Z. Chen

Drug discovery is a time-consuming and expensive process, with traditional high-throughput and docking-based virtual screening hampered by low success rates and limited scalability. Recent advances in generative modelling, including…

Artificial Intelligence · Computer Science 2026-03-12 Junkai Ji , Zhangfan Yang , Dong Xu , Ruibin Bai , Jianqiang Li , Tingjun Hou , Zexuan Zhu

Multimodal entity linking plays a crucial role in a wide range of applications. Recent advances in large language model-based methods have become the dominant paradigm for this task, effectively leveraging both textual and visual modalities…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Ziyan Liu , Junwen Li , Kaiwen Li , Tong Ruan , Chao Wang , Xinyan He , Zongyu Wang , Xuezhi Cao , Jingping Liu

Antibodies are Y-shaped proteins that neutralize pathogens and constitute the core of our adaptive immune system. De novo generation of new antibodies that target specific antigens holds the key to accelerating vaccine discovery. However,…

Machine Learning · Computer Science 2023-06-05 Yogesh Verma , Markus Heinonen , Vikas Garg

Large Language Models (LLMs) serve as the backbone of modern AI systems, yet they remain susceptible to adversarial jailbreak attacks. Consequently, robust detection of such malicious inputs is paramount for ensuring model safety.…

Cryptography and Security · Computer Science 2026-01-13 Jun Leng , Yu Liu , Litian Zhang , Ruihan Hu , Zhuting Fang , Xi Zhang

Accurate prediction of antibody-antigen binding affinity is fundamental to therapeutic design, yet remains constrained by severe label sparsity and the complexity of antigenic variations. In this paper, we propose AbLWR (Antibody-antigen…

Machine Learning · Computer Science 2026-04-14 Fan Xu , Zhi-an Huang , Haohuai He , Yidong Song , Wei Liu , Dongxu Zhang , Yao Hu , Kay Chen Tan

Deep clustering has shown its promising capability in joint representation learning and clustering via deep neural networks. Despite the significant progress, the existing deep clustering works mostly utilize some distribution-based…

Computer Vision and Pattern Recognition · Computer Science 2023-10-18 Yuankun Xu , Dong Huang , Chang-Dong Wang , Jian-Huang Lai

Accurate cell counting in immunohistochemistry (IHC) images is critical for quantifying protein expression and aiding cancer diagnosis. However, the task remains challenging due to the chromogen overlap, variable biomarker staining, and…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Zuqi Huang , Mengxin Tian , Huan Liu , Wentao Li , Baobao Liang , Jie Wu , Fang Yan , Zhaoqing Tang , Zhongyu Li

To build effective therapeutics, biologists iteratively mutate antibody sequences to improve binding and stability. Proposed mutations can be informed by previous measurements or by learning from large antibody databases to predict only…

Antibodies are proteins produced by the immune system that recognize and bind to specific antigens, and their 3D structures are crucial for understanding their binding mechanism and designing therapeutic interventions. The specificity of…

Machine Learning · Computer Science 2024-10-23 Jiying Zhang , Zijing Liu , Shengyuan Bai , He Cao , Yu Li , Lei Zhang