Neural message passing for joint paratope-epitope prediction

A Del Vecchio, A Deac, P Liò, P Veličković - arXiv preprint arXiv …, 2021 - arxiv.org
… the joint epitope-paratope prediction task in detail, identify an inherent asymmetry between
the two tasks, and propose epitope-paratope message passing (… meaningful predictions on …

Improving Paratope and Epitope Prediction by Multi-Modal Contrastive Learning and Interaction Informativeness Estimation

Z Wang, Y Wang, W Zhang - arXiv preprint arXiv:2405.20668, 2024 - arxiv.org
… (3) For the joint paratope-epitope prediction, our method produces the best performance in …
ParagraphâC”antibody paratope prediction using graph neural networks with minimal feature …

Neural message passing for joint paratope-epitope prediction

AD Vecchio, A Deac, P Liò, P Veličković - 2021 - europepmc.org
… The binding sites in an antibody-antigen interaction are known as the paratope and
epitope, respectively, and the prediction of these regions is key to vaccine and synthetic …

Recent progress in antibody epitope prediction

X Zeng, G Bai, C Sun, B Ma - Antibodies, 2023 - mdpi.com
… to map and predict the paratope, epitope, and paratopeepitope interactions [67… neural
message-passing architectures that are specifically designed for paratope and epitope prediction

Geometric epitope and paratope prediction

M Pegoraro, C Dominé, E Rodolà, P Veličković… - …, 2024 - academic.oup.com
Motivation Identifying the binding sites of antibodies is essential for developing vaccines and
synthetic antibodies. In this article, we investigate the optimal representation for predicting

Antibody-antigen docking and design via hierarchical structure refinement

W Jin, R Barzilay, T Jaakkola - International Conference on …, 2022 - proceedings.mlr.press
… design is how to predict the 3D paratope-epitope complex (ie, … Specifically, we propose
a hierarchical message passing … learned by a recurrent neural network. HSRN predicts the …

A sequence-based antibody paratope prediction model through combing local-global information and partner features

S Lu, Y Li, X Nan, S Zhang - International Symposium on Bioinformatics …, 2021 - Springer
… In this work, we propose a sequence-based method for antibody paratope prediction
utilizing both local-global information and partner features by combing Convolutional Neural

[PDF][PDF] AsEP: Benchmarking Deep Learning Methods for Antibody-specific Epitope Prediction

L Denzler, Y Chen, A Martin, B Paige - arXiv preprint arXiv:2407.18184, 2024 - bioinf.org.uk
… site prediction methods and find that their performances are not satisfactory as expected for
epitope prediction… protein language models and graph neural networks. WALLE demonstrate …

Antibody-antigen docking and design via hierarchical equivariant refinement

W Jin, R Barzilay, T Jaakkola - arXiv preprint arXiv:2207.06616, 2022 - arxiv.org
… complementary tasks: predicting the paratope-epitope complex for a … Specifically, we adopt
a hierarchical message passing … We will extend our experiments to design all six CDRs jointly

[HTML][HTML] Structure-free antibody paratope similarity prediction for in silico epitope binning via protein language models

A Ghanbarpour, M Jiang, D Foster, Q Chai - Iscience, 2023 - cell.com
… Next, we used a pretrained language model to generate the neural representations of the
predicted paratope residues and used them to measure the similarity between antibody pairs. …