AbAffinity: A Large Language Model for Predicting Antibody Binding Affinity against SARS-CoV-2
- URL: http://arxiv.org/abs/2603.04480v1
- Date: Wed, 04 Mar 2026 18:09:10 GMT
- Title: AbAffinity: A Large Language Model for Predicting Antibody Binding Affinity against SARS-CoV-2
- Authors: Faisal Bin Ashraf, Animesh Ray, Stefano Lonardi,
- Abstract summary: Machine learning-based antibody design is emerging as one of the most promising approaches to combat infectious diseases.<n>The ability of an antibody to bind to an antigens (called binding affinity) is one of the the most critical properties in designing neutralizing antibodies.<n>In this study we introduce Ab-Affinity, a new large language model that can accurately predict the binding affinity of antibodies against a target peptide.
- Score: 0.0
- License: http://creativecommons.org/licenses/by-nc-sa/4.0/
- Abstract: 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 antibody data (in particular related to COVID-19). The ability of an antibody to bind to an antigens (called binding affinity) is one of the the most critical properties in designing neutralizing antibodies. In this study we introduce Ab-Affinity, a new large language model that can accurately predict the binding affinity of antibodies against a target peptide, e.g., the SARS-CoV-2 spike protein. Code and model are available at https://github.com/ucrbioinfo/AbAffinity.
Related papers
- ABConformer: Physics-inspired Sliding Attention for Antibody-Antigen Interface Prediction [3.947298454012977]
We present ABCONFORMER, a model based on the Conformer backbone that captures both local and global features of a biosequence.<n>ABCONFORMER can accurately predict paratopes and antigens given the antibody and sequence, and predict pan-epitopes on the antigen without antibody information.
arXiv Detail & Related papers (2025-09-27T11:12:04Z) - AbBiBench: A Benchmark for Antibody Binding Affinity Maturation and Design [8.195812610020203]
AbBiBench is a benchmarking framework for antibody binding affinity maturation and design.<n>It evaluates an antibody design's binding potential by measuring how well a protein model scores the full Ab-Ag complex.
arXiv Detail & Related papers (2025-05-23T21:09:04Z) - Llama-Affinity: A Predictive Antibody Antigen Binding Model Integrating Antibody Sequences with Llama3 Backbone Architecture [2.474908349649168]
We present an advanced antibody-antigen binding affinity prediction model (Llamafinity)<n>The model achieved an accuracy of 0.9640, an F1-score of 0.9643, a precision of 0.9702, a recall of 0.9586, and an AUC-ROC of 0.9936.<n>This strategy unveiled higher computational efficiency, with a five-fold average cumulative training time of only 0.46 hours.
arXiv Detail & Related papers (2025-05-17T20:10:54Z) - dyAb: Flow Matching for Flexible Antibody Design with AlphaFold-driven Pre-binding Antigen [52.809470467635194]
Development of therapeutic antibodies heavily relies on accurate predictions of how antigens will interact with antibodies.<n>Existing computational methods in antibody design often overlook crucial conformational changes that antigens undergo during the binding process.<n>We introduce dyAb, a flexible framework that incorporates AlphaFold2-driven predictions to model pre-binding antigen structures.
arXiv Detail & Related papers (2025-03-01T03:53:18Z) - Leveraging Large Language Models to Predict Antibody Biological Activity Against Influenza A Hemagglutinin [0.15547733154162566]
We develop an AI model for predicting the binding and receptor blocking activity of antibodies against influenza A hemagglutininin (HA) antigens.<n>Our models achieved an AUROC $geq$ 0.91 for predicting the activity of existing antibodies against seen HAs and an AUROC of 0.9 for unseen HAs.
arXiv Detail & Related papers (2025-02-02T06:48:45Z) - Relation-Aware Equivariant Graph Networks for Epitope-Unknown Antibody Design and Specificity Optimization [61.06622479173572]
We propose a novel Relation-Aware Design (RAAD) framework, which models antigen-antibody interactions for co-designing sequences and structures of antigen-specific CDRs.<n> Furthermore, we propose a new evaluation metric to better measure antibody specificity and develop a contrasting specificity-enhancing constraint to optimize the specificity of antibodies.
arXiv Detail & Related papers (2024-12-14T03:00:44Z) - xTrimoABFold: De novo Antibody Structure Prediction without MSA [77.47606749555686]
We develop a novel model named xTrimoABFold to predict antibody structure from antibody sequence.
The model was trained end-to-end on the antibody structures in PDB by minimizing the ensemble loss of domain-specific focal loss on CDR and the frame-aligned point loss.
arXiv Detail & Related papers (2022-11-30T09:26:08Z) - Incorporating Pre-training Paradigm for Antibody Sequence-Structure
Co-design [134.65287929316673]
Deep learning-based computational antibody design has attracted popular attention since it automatically mines the antibody patterns from data that could be complementary to human experiences.
The computational methods heavily rely on high-quality antibody structure data, which is quite limited.
Fortunately, there exists a large amount of sequence data of antibodies that can help model the CDR and alleviate the reliance on structure data.
arXiv Detail & Related papers (2022-10-26T15:31:36Z) - Reprogramming Pretrained Language Models for Antibody Sequence Infilling [72.13295049594585]
Computational design of antibodies involves generating novel and diverse sequences, while maintaining structural consistency.
Recent deep learning models have shown impressive results, however the limited number of known antibody sequence/structure pairs frequently leads to degraded performance.
In our work we address this challenge by leveraging Model Reprogramming (MR), which repurposes pretrained models on a source language to adapt to the tasks that are in a different language and have scarce data.
arXiv Detail & Related papers (2022-10-05T20:44:55Z) - AntBO: Towards Real-World Automated Antibody Design with Combinatorial
Bayesian Optimisation [53.43922443725598]
We present AntBO: a Combinatorial optimisation algorithm enabling efficient in silico design of the CDRH3 region.
To benchmark AntBO, we use the Absolut! software suite as a black-box oracle because it can score the target specificity and affinity of designed antibodies in silico.
In under 200 protein designs, AntBO can suggest antibody sequences that outperform the best binding sequence drawn from 6.9 million experimentally obtained CDRH3s.
arXiv Detail & Related papers (2022-01-29T12:03:04Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.