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相关论文: Measuring the sequence-affinity landscape of antib…

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Affinity maturation produces antibodies that bind antigens with high specificity by accumulating mutations in the antibody sequence. Mapping out the antibody-antigen affinity landscape can give us insight into the accessible paths during…

种群与进化 · 定量生物学 2019-05-14 Rhys M. Adams , Justin B. Kinney , Aleksandra M. Walczak , Thierry Mora

The adaptive immune system recognizes antigens via an immense array of antigen-binding antibodies and T-cell receptors, the immune repertoire. The interrogation of immune repertoires is of high relevance for understanding the adaptive…

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…

机器学习 · 计算机科学 2025-12-29 Aicha Boutorh , Soumia Bouyahiaoui , Sara Belhadj , Nour El Yakine Guendouz , Manel Kara Laouar

Antibody therapeutics has been extensively studied in drug discovery and development within the past decades. One increasingly popular focus in the antibody discovery pipeline is the optimization step for therapeutic leads. Both traditional…

生物大分子 · 定量生物学 2022-08-16 Yue Kang , Dawei Leng , Jinjiang Guo , Lurong Pan

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,…

定量方法 · 定量生物学 2025-01-03 Lirong Wu , Haitao Lin , Yufei Huang , Zhangyang Gao , Cheng Tan , Yunfan Liu , Tailin Wu , Stan Z. Li

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…

生物大分子 · 定量生物学 2025-02-27 Xingyi Zhang , Kun Xie , Ningqiao Huang , Wei Liu , Peilin Zhao , Sibo Wang , Kangfei Zhao , Biaobin Jiang

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…

机器学习 · 计算机科学 2025-06-27 Jiameng Chen , Xiantao Cai , Jia Wu , Wenbin Hu

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…

生物大分子 · 定量生物学 2022-01-31 Wengong Jin , Jeremy Wohlwend , Regina Barzilay , Tommi Jaakkola

The complex nature of tripartite peptide-MHC-TCR interactions is a critical yet underexplored area in immunogenicity prediction. Traditional studies on TCR-antigen binding have not fully addressed the complex dependencies in triad binding.…

生物大分子 · 定量生物学 2025-01-06 Jiahao Ma , Hongzong Li , Jian-Dong Huang , Ye-Fan Hu , Yifan Chen

The binding affinity between the T-cell receptors (TCRs) and antigenic peptides mainly determines immunological recognition. It is not a trivial task that T cells identify the digital sequences of peptide amino acids by simply relying on…

细胞行为 · 定量生物学 2024-02-14 Jin Xu , Junghyo Jo

A pivotal area of research in antibody engineering is to find effective modifications that enhance antibody-antigen binding affinity. Traditional wet-lab experiments assess mutants in a costly and time-consuming manner. Emerging deep…

定量方法 · 定量生物学 2025-05-28 Chen Liu , Mingchen Li , Yang Tan , Wenrui Gou , Guisheng Fan , Bingxin Zhou

Cancer is a complex disease characterized by uncontrolled cell growth and proliferation. T cell receptors (TCRs) are essential proteins for the adaptive immune system, and their specific recognition of antigens plays a crucial role in the…

机器学习 · 计算机科学 2023-09-07 Zahra Tayebi , Sarwan Ali , Prakash Chourasia , Taslim Murad , Murray Patterson

Accurate prediction of antibody-antigen (Ab-Ag) binding affinity is essential for therapeutic design and vaccine development, yet the performance of current models is limited by noisy experimental labels, heterogeneous assay conditions, and…

The frequencies of A, C, G and T in mitochondrial DNA vary among species due to unequal rates of mutation between the bases. The frequencies of bases at four-fold degenerate sites respond directly to mutation pressure. At 1st and 2nd…

种群与进化 · 定量生物学 2016-09-08 Daniel Urbina , Bin Tang , Paul G. Higgs

A key challenge in molecular biology is to decipher the mapping of protein sequence to function. To perform this mapping requires the identification of sequence features most informative about function. Here, we quantify the amount of…

生物大分子 · 定量生物学 2024-12-19 James Henderson , Yuta Nagano , Martina Milighetti , Andreas Tiffeau-Mayer

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…

机器学习 · 计算机科学 2024-06-21 Bohao Xu , Yanbo Wang , Wenyu Chen , Shimin Shan

Antibody-facilitated immune responses are central to the body's defense against pathogens, viruses, and other foreign invaders. The ability of antibodies to specifically bind and neutralize antigens is vital for maintaining immunity. Over…

机器学习 · 计算机科学 2025-06-12 Delower Hossain , Ehsan Saghapour , Kevin Song , Jake Y. Chen

Antibodies are widely used as therapeutics, but their development requires costly affinity maturation, involving iterative mutations to enhance binding affinity.This paper explores a sequence-only scenario for affinity maturation, using…

机器学习 · 计算机科学 2025-02-18 Can Chen , Karla-Luise Herpoldt , Chenchao Zhao , Zichen Wang , Marcus Collins , Shang Shang , Ron Benson

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…

生物大分子 · 定量生物学 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
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