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Antibodies are crucial proteins produced by the immune system to eliminate harmful foreign substances and have become pivotal therapeutic agents for treating human diseases. To accelerate the discovery of antibody therapeutics, there is…

Machine Learning · Computer Science 2024-10-17 Hirofumi Tsuruta , Hiroyuki Yamazaki , Ryota Maeda , Ryotaro Tamura , Akihiro Imura

Many biological processes are governed by protein-ligand interactions. One such example is the recognition of self and nonself cells by the immune system. This immune response process is regulated by the major histocompatibility complex…

Quantitative Methods · Quantitative Biology 2017-04-14 Yeeleng Scott Vang , Xiaohui Xie

A central challenge in every field of biology is to use existing measurements to predict the outcomes of future experiments. In this work, we consider the wealth of antibody inhibition data against variants of the influenza virus. Due to…

Quantitative Methods · Quantitative Biology 2023-07-27 Tal Einav , Rong Ma

Human leukocyte antigen (HLA) is an important molecule family in the field of human immunity, which recognizes foreign threats and triggers immune responses by presenting peptides to T cells. In recent years, the synthesis of tumor vaccines…

Quantitative Methods · Quantitative Biology 2022-08-10 Meng Wang , Chuqi Lei , Jianxin Wang , Yaohang Li , Min Li

Human metapneumovirus (hMPV) poses serious risks to pediatric, elderly, and immunocompromised populations. Traditional antibody discovery pipelines require 10-12 months, limiting their applicability for rapid outbreak response. This project…

Quantitative Methods · Quantitative Biology 2025-09-01 Shawnak Shivakumar , Matthew Sandora

Major histocompatibility complex class two (MHC-II) molecules are trans-membrane proteins and key components of the cellular immune system. Upon recognition of foreign peptides expressed on the MHC-II binding groove, helper T cells mount an…

Quantitative Methods · Quantitative Biology 2017-12-05 A. M. Degoot , Faraimunashe Chirove , Wilfred Ndifon

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…

Machine Learning · Computer Science 2025-06-12 Delower Hossain , Ehsan Saghapour , Kevin Song , Jake Y. Chen

Protein-protein interactions (PPIs) between a virus and its host govern infection, replication, and pathogenesis. While high-throughput mapping has identified thousands of virus-host associations, much of the virus-host interactome remains…

Antigenic epitope presented by major histocompatibility complex II (MHC-II) proteins plays an essential role in immunotherapy. However, compared to the more widely studied MHC-I in computational immunotherapy, the study of MHC-II antigenic…

Machine Learning · Computer Science 2025-12-17 Yue Wan , Jiayi Yuan , Zhiwei Feng , Xiaowei Jia

While deep learning models play a crucial role in predicting antibody-antigen interactions (AAI), the scarcity of publicly available sequence-structure pairings constrains their generalization. Current AAI methods often focus on…

Machine Learning · Computer Science 2025-03-25 Peijin Guo , Minghui Li , Hewen Pan , Ruixiang Huang , Lulu Xue , Shengqing Hu , Zikang Guo , Wei Wan , Shengshan Hu

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

The vertebrate adaptive immune system provides a flexible and diverse set of molecules to neutralize pathogens. Yet, viruses such as HIV can cause chronic infections by evolving as quickly as the adaptive immune system, forming an…

Populations and Evolution · Quantitative Biology 2016-06-22 Armita Nourmohammad , Jakub Otwinowski , Joshua B. Plotkin

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

Viral infections are causing significant morbidity and mortality worldwide. Understanding the interaction patterns between a particular virus and human proteins plays a crucial role in unveiling the underlying mechanism of viral infection…

Machine Learning · Computer Science 2021-11-30 Thi Ngan Dong , Graham Brogden , Gisa Gerold , Megha Khosla

Protein-protein and protein nucleic acid interactions are vitally important for a wide range of biological processes, including regulation of gene expression, protein synthesis, and replication and assembly of many viruses. We have…

Machine Learning · Computer Science 2007-05-23 Michael Terribilini , Jae-Hyung Lee , Changhui Yan , Robert L. Jernigan , Susan Carpenter , Vasant Honavar , Drena Dobbs

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…

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

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…

Biomolecules · Quantitative Biology 2022-08-16 Yue Kang , Dawei Leng , Jinjiang Guo , Lurong Pan

Monoclonal antibodies (mAbs) represent one of the most prevalent FDA-approved modalities for treating autoimmune diseases, infectious diseases, and cancers. However, discovery and development of therapeutic antibodies remains a…

Numerous diseases, particularly autoimmune disorders, are associated with the human leukocyte antigen (HLA), a small genomic region located on human chromosome 6. Adequate characterization of linkage disequilibrium (LD) in the HLA across…

Genomics · Quantitative Biology 2025-12-08 Fei Zhang , Weixiong Zhang
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