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Recent advancements in protein design have leveraged diffusion models to generate structural scaffolds, followed by a process known as protein inverse folding, which involves sequence inference on these scaffolds. However, these…

Biomolecules · Quantitative Biology 2025-02-27 Xingyi Zhang , Kun Xie , Ningqiao Huang , Wei Liu , Peilin Zhao , Sibo Wang , Kangfei Zhao , Biaobin Jiang

Antibody co-design represents a critical frontier in drug development, where accurate prediction of both 1D sequence and 3D structure of complementarity-determining regions (CDRs) is essential for targeting specific epitopes. Despite recent…

Biomolecules · Quantitative Biology 2025-02-27 Jiayang Wu , Xingyi Zhang , Xiangyu Dong , Kun Xie , Ziqi Liu , Wensheng Gan , Sibo Wang , Le Song

Antibodies are versatile proteins that bind to pathogens like viruses and stimulate the adaptive immune system. The specificity of antibody binding is determined by complementarity-determining regions (CDRs) at the tips of these Y-shaped…

Biomolecules · Quantitative Biology 2022-01-31 Wengong Jin , Jeremy Wohlwend , Regina Barzilay , Tommi Jaakkola

We introduce IgDiff, an antibody variable domain diffusion model based on a general protein backbone diffusion framework which was extended to handle multiple chains. Assessing the designability and novelty of the structures generated with…

Biomolecules · Quantitative Biology 2024-05-14 Daniel Cutting , Frédéric A. Dreyer , David Errington , Constantin Schneider , Charlotte M. Deane

The adaptive immune response, largely mediated by B-cell receptors (BCRs), plays a crucial role for effective pathogen neutralization due to its diversity and antigen specificity. Designing BCRs de novo, or from scratch, has been…

Biomolecules · Quantitative Biology 2024-09-11 Desmond Kuan , Amir Barati Farimani

Antibodies are crucial proteins produced by the immune system in response to foreign substances or antigens. The specificity of an antibody is determined by its complementarity-determining regions (CDRs), which are located in the variable…

Biomolecules · Quantitative Biology 2024-01-11 Cheng Tan , Zhangyang Gao , Lirong Wu , Jun Xia , Jiangbin Zheng , Xihong Yang , Yue Liu , Bozhen Hu , Stan Z. Li

Antibodies are proteins produced by the immune system that can identify and neutralise a wide variety of antigens with high specificity and affinity, and constitute the most successful class of biotherapeutics. With the advent of…

Biomolecules · Quantitative Biology 2024-03-27 Henry Kenlay , Frédéric A. Dreyer , Aleksandr Kovaltsuk , Dom Miketa , Douglas Pires , Charlotte M. Deane

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

Recently, deep learning has made rapid progress in antibody design, which plays a key role in the advancement of therapeutics. A dominant paradigm is to train a model to jointly generate the antibody sequence and the structure as a…

Quantitative Methods · Quantitative Biology 2025-01-20 Nayoung Kim , Minsu Kim , Sungsoo Ahn , Jinkyoo Park

Computational protein design, i.e. inferring novel and diverse protein sequences consistent with a given structure, remains a major unsolved challenge. Recently, deep generative models that learn from sequences alone or from sequences and…

Biomolecules · Quantitative Biology 2021-11-15 Igor Melnyk , Payel Das , Vijil Chenthamarakshan , Aurelie Lozano

High-quality synthetic data can support the development of effective predictive models for biomedical tasks, especially in rare diseases or when subject to compelling privacy constraints. These limitations, for instance, negatively impact…

Machine Learning · Computer Science 2023-01-24 Lorenzo Simone , Davide Bacciu

Motivation: The analysis of antibodies and T-cell receptors (TCRs) concentrations in serum is a fundamental problem in immunoinformatics. Repertoire construction is a preliminary step of analysis of clonal lineages, understanding of immune…

Genomics · Quantitative Biology 2016-04-11 Alexander Shlemov , Sergey Bankevich , Andrey Bzikadze , Yana Safonova

This paper presents IMAGGarment, a fine-grained garment generation (FGG) framework that enables high-fidelity garment synthesis with precise control over silhouette, color, and logo placement. Unlike existing methods that are limited to…

Computer Vision and Pattern Recognition · Computer Science 2025-09-09 Fei Shen , Jian Yu , Cong Wang , Xin Jiang , Xiaoyu Du , Jinhui Tang

Biphasic face photo-sketch synthesis has significant practical value in wide-ranging fields such as digital entertainment and law enforcement. Previous approaches directly generate the photo-sketch in a global view, they always suffer from…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 Xingqun Qi , Muyi Sun , Zijian Wang , Jiaming Liu , Qi Li , Fang Zhao , Shanghang Zhang , Caifeng Shan

Antibody design remains a critical challenge in therapeutic and diagnostic development, particularly for complex antigens with diverse binding interfaces. Current computational methods face two main limitations: (1) capturing geometric…

Machine Learning · Computer Science 2025-06-27 Jiameng Chen , Xiantao Cai , Jia Wu , Wenbin Hu

Therapeutic antibody candidates often require extensive engineering to improve key functional and developability properties before clinical development. This can be achieved through iterative design, where starting molecules are optimized…

Machine Learning · Computer Science 2025-09-23 Aniruddh Raghu , Sebastian Ober , Maxwell Kazman , Hunter Elliott

The design and optimization of antibodies requires an intricate balance across multiple properties. Protein inverse folding models, capable of generating diverse sequences folding into the same structure, are promising tools for maintaining…

In recent years, significant progress has been made in both image generation and generated image detection. Despite their rapid, yet largely independent, development, these two fields have evolved distinct architectural paradigms: the…

Computer Vision and Pattern Recognition · Computer Science 2026-04-24 Yanran Zhang , Wenzhao Zheng , Yifei Li , Bingyao Yu , Yu Zheng , Lei Chen , Jiwen Lu , Jie Zhou

The development of clinical-grade artificial intelligence in pathology is limited by the scarcity of diverse, high-quality annotated datasets. Generative models offer a potential solution but suffer from semantic instability and…

Computer Vision and Pattern Recognition · Computer Science 2025-12-17 Xianchao Guan , Zhiyuan Fan , Yifeng Wang , Fuqiang Chen , Yanjiang Zhou , Zengyang Che , Hongxue Meng , Xin Li , Yaowei Wang , Hongpeng Wang , Min Zhang , Heng Tao Shen , Zheng Zhang , Yongbing Zhang

Transforming error-prone immunosequencing datasets into antibody repertoires is a fundamental problem in immunogenomics, and a prerequisite for studies of immune responses. Although various repertoire reconstruction algorithms were released…

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