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Predicting the binding free energy between antibodies and antigens is a key challenge in structure-aware biomolecular modeling, with direct implications for antibody design. Most existing methods either rely solely on sequence embeddings or…

Biomolecules · Quantitative Biology 2025-08-28 Ciyuan Yu , Hongzong Li , Jiahao Ma , Shiqin Tang , Ye-Fan Hu , Jian-Dong Huang

The immune system normally protects the human host against death by infection. However, when an immune response is mistakenly directed at self antigens, autoimmune disease can occur. We describe a model of protein evolution to simulate the…

Populations and Evolution · Quantitative Biology 2009-11-11 Jun Sun , David J. Earl , Michael W. Deem

Pre-training by language modeling has become a popular and successful approach to NLP tasks, but we have yet to understand exactly what linguistic capacities these pre-training processes confer upon models. In this paper we introduce a…

Computation and Language · Computer Science 2020-07-14 Allyson Ettinger

To what extent can neural network models learn generalizations about language structure, and how do we find out what they have learned? We explore these questions by training neural models for a range of natural language processing tasks on…

Computation and Language · Computer Science 2023-01-20 Robert Östling , Murathan Kurfalı

Recently, Antimicrobial peptides (AMPs) have been an area of interest in the researches, as the first line of defense against the bacteria. They are raising attention as an efficient way of fighting multidrug resistance. Discovering and…

Quantitative Methods · Quantitative Biology 2020-05-06 Neda Zarayeneh , Zahra Hanifeloo

An accurate binding affinity prediction between T-cell receptors and epitopes contributes decisively to develop successful immunotherapy strategies. Some state-of-the-art computational methods implement deep learning techniques by…

Machine Learning · Computer Science 2024-01-18 Etienne Goffinet , Raghvendra Mall , Ankita Singh , Rahul Kaushik , Filippo Castiglione

Transformer-based language models have recently achieved remarkable results in many natural language tasks. However, performance on leaderboards is generally achieved by leveraging massive amounts of training data, and rarely by encoding…

Computation and Language · Computer Science 2022-07-21 Bai Li

Divergence in antigen response of the immune network is discussed, based on shape-space modelling. The present model extends the shape-space model by introducing the evolution of specificity of idiotypes. When the amount of external antigen…

chao-dyn · Physics 2007-05-23 K. Harada , T. Ikegami

Antibodies, a prominent class of approved biologics, play a crucial role in detecting foreign antigens. The effectiveness of antigen neutralisation and elimination hinges upon the strength, sensitivity, and specificity of the…

Quantitative Methods · Quantitative Biology 2023-09-06 Bruna Moreira da Silva , David B. Ascher , Nicholas Geard , Douglas E. V. Pires

Almost none of the 2,000+ languages spoken in Africa have widely available automatic speech recognition systems, and the required data is also only available for a few languages. We have experimented with two techniques which may provide…

Computation and Language · Computer Science 2022-10-05 Sandy Ritchie , You-Chi Cheng , Mingqing Chen , Rajiv Mathews , Daan van Esch , Bo Li , Khe Chai Sim

Multilingual pretrained language models (mPLMs) acquire valuable, generalizable linguistic information during pretraining and have advanced the state of the art on task-specific finetuning. To date, only ~31 out of ~2,000 African languages…

Computation and Language · Computer Science 2023-05-30 Ife Adebara , AbdelRahim Elmadany , Muhammad Abdul-Mageed , Alcides Alcoba Inciarte

Biological organisms have evolved a wide range of immune mechanisms to defend themselves against pathogens. Beyond molecular details, these mechanisms differ in how protection is acquired, processed and passed on to subsequent generations…

Populations and Evolution · Quantitative Biology 2016-12-26 Andreas Mayer , Thierry Mora , Olivier Rivoire , Aleksandra M. Walczak

Language models that utilize extensive self-supervised pre-training from unlabeled text, have recently shown to significantly advance the state-of-the-art performance in a variety of language understanding tasks. However, it is yet unclear…

Information Retrieval · Computer Science 2020-09-29 Itzik Malkiel , Oren Barkan , Avi Caciularu , Noam Razin , Ori Katz , Noam Koenigstein

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…

Mechanisms of immunity, and of the host-pathogen interactions in general are among the most fundamental problems of medicine, ecology, and evolution studies. Here, we present a microscopic, protein-level, sequence-based model of immune…

Biomolecules · Quantitative Biology 2007-11-22 Muyoung Heo , Konstantin B. Zeldovich , Eugene I. Shakhnovich

While behaviors of pretrained language models (LMs) have been thoroughly examined, what happened during pretraining is rarely studied. We thus investigate the developmental process from a set of randomly initialized parameters to a…

Computation and Language · Computer Science 2020-10-30 Cheng-Han Chiang , Sung-Feng Huang , Hung-yi Lee

Recent advances in Language Models have enabled the protein modeling community with a powerful tool since protein sequences can be represented as text. Specifically, by taking advantage of Transformers, sequence-to-property prediction will…

Biomolecules · Quantitative Biology 2023-09-07 Chakradhar Guntuboina , Adrita Das , Parisa Mollaei , Seongwon Kim , Amir Barati Farimani

This contribution is devoted to a new model of HIV multiplication motivated by the patent of one of the authors. We take into account the antigenic diversity through what we define "antigenicity", whether of the virus or of the adapted…

Numerical Analysis · Mathematics 2011-02-02 François Dubois , Hervé Le Meur , Claude Reiss

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

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