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The adaptive immune system is a natural diagnostic and therapeutic. It recognizes threats earlier than clinical symptoms manifest and neutralizes antigen with exquisite specificity. Recognition specificity and broad reactivity is enabled…

Quantitative Methods · Quantitative Biology 2019-07-26 Alex J. Brown , Igor Snapkov , Rahmad Akbar , Milena Pavlović , Enkelejda Miho , Geir K. Sandve , Victor Greiff

Predicting the binding affinity between antigens and antibodies is fundamental to drug discovery and vaccine development. Traditional computational approaches often rely on experimentally determined 3D structures, which are scarce and…

Machine Learning · Computer Science 2025-12-29 Aicha Boutorh , Soumia Bouyahiaoui , Sara Belhadj , Nour El Yakine Guendouz , Manel Kara Laouar

The current study of cell architecture of inflammation in histopathology images commonly performed for diagnosis and research purposes excludes a lot of information available on the biopsy slide. In autoimmune diseases, major outstanding…

Image and Video Processing · Electrical Eng. & Systems 2022-10-25 Pranav Singh , Jacopo Cirrone

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

Infections depend on interactions between pathogen and host proteins, but comprehensively mapping these interactions is challenging and labor intensive. Many biological networks have hierarchical, scale-free structure, so we developed a…

Molecular Networks · Quantitative Biology 2025-11-19 Xiaoqiong Xia , Cesar de la Fuente-Nunez

Machine learning-based antibody design is emerging as one of the most promising approaches to combat infectious diseases, due to significant advancements in the field of artificial intelligence and an exponential surge in experimental…

Quantitative Methods · Quantitative Biology 2026-03-06 Faisal Bin Ashraf , Animesh Ray , Stefano Lonardi

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

We present a three-stage framework for training deep learning models specializing in antibody sequence-structure co-design. We first pre-train a language model using millions of antibody sequence data. Then, we employ the learned…

Machine Learning · Computer Science 2025-10-24 Yibo Wen , Chenwei Xu , Jerry Yao-Chieh Hu , Kaize Ding , Han Liu

We present a fully automated, anatomically guided deep learning pipeline for prostate cancer (PCa) risk stratification using routine MRI. The pipeline integrates three key components: an nnU-Net module for segmenting the prostate gland and…

The computational design of antibodies with high specificity and affinity is a cornerstone of modern therapeutic development. While deep generative models have demonstrated potential, they often struggle to balance high-fidelity geometric…

Quantitative Methods · Quantitative Biology 2026-02-24 Yue Hu , Feng Tao , Junqing Wang , YingChao Liu

Therapeutic antibodies have been extensively studied in drug discovery and development in the past decades. Antibodies are specialized protective proteins that bind to antigens in a lock-to-key manner. The binding strength/affinity between…

Machine Learning · Computer Science 2024-06-21 Bohao Xu , Yanbo Wang , Wenyu Chen , Shimin Shan

T-cell receptors can recognize foreign peptides bound to major histocompatibility complex (MHC) class-I proteins, and thus trigger the adaptive immune response. Therefore, identifying peptides that can bind to MHC class-I molecules plays a…

Quantitative Methods · Quantitative Biology 2020-12-09 Ziqi Chen , Martin Renqiang Min , Xia Ning

More infectious virus variants can arise from rapid mutations in their proteins, creating new infection waves. These variants can evade one's immune system and infect vaccinated individuals, lowering vaccine efficacy. Hence, to improve…

Machine Learning · Computer Science 2022-05-31 Glenda Tan Hui En , Koay Tze Erhn , Shen Bingquan

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

We consider the problem of antibody sequence design given 3D structural information. Building on previous work, we propose a fine-tuned inverse folding model that is specifically optimised for antibody structures and outperforms generic…

Biomolecules · Quantitative Biology 2023-10-31 Frédéric A. Dreyer , Daniel Cutting , Constantin Schneider , Henry Kenlay , Charlotte M. Deane

The fast evolution of SARS-CoV-2 and other infectious viruses poses a grand challenge to the rapid response in terms of viral tracking, diagnostics, and design and manufacture of monoclonal antibodies (mAbs) and vaccines, which are both…

Biomolecules · Quantitative Biology 2024-11-20 JunJie Wee , Guo-Wei Wei

We investigate the potential of patent data for improving the antibody humanness prediction using a multi-stage, multi-loss training process. Humanness serves as a proxy for the immunogenic response to antibody therapeutics, one of the…

Quantitative Methods · Quantitative Biology 2024-06-11 Talip Ucar , Aubin Ramon , Dino Oglic , Rebecca Croasdale-Wood , Tom Diethe , Pietro Sormanni

Human Papillomavirus (HPV) has been known as one of the cause of virus-induced cancer such as cervical cancer and carcinoma. Among other types of cancer, this type has higher chance in being prevented earlier. The main idea is to eradicate…

Cell Behavior · Quantitative Biology 2013-11-19 Luman Haris , Sony Suhandono , Siti Nurul Khotimah , Freddy Haryanto , Sparisoma Viridi

Accurate identification of antiviral peptides (AVPs) is critical for accelerating novel drug development. However, current computational methods struggle to capture intricate sequence dependencies and effectively handle ambiguous,…

Machine Learning · Computer Science 2025-12-29 Xinru Wen , Weizhong Lin , Xuan Xiao

As more and more infection-specific machine learning models are developed and planned for clinical deployment, simultaneously running predictions from different models may provide overlapping or even conflicting information. It is important…

Machine Learning · Computer Science 2023-11-17 Ethan Harvey , Junzi Dong , Erina Ghosh , Ali Samadani