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Attentive Cross-Modal Paratope Prediction

Authors: Andreea Deac; Petar Velickovic; Pietro Sormanni;

Attentive Cross-Modal Paratope Prediction

Abstract

Antibodies are a critical part of the immune system, having the function of directly neutralising or tagging undesirable objects (the antigens) for future destruction. Being able to predict which amino acids belong to the paratope, the region on the antibody which binds to the antigen, can facilitate antibody design and contribute to the development of personalised medicine. The suitability of deep neural networks has recently been confirmed for this task, with Parapred outperforming all prior physical models. Our contribution is twofold: first, we significantly outperform the computational efficiency of Parapred by leveraging à trous convolutions and self-attention. Secondly, we implement cross-modal attention by allowing the antibody residues to attend over antigen residues. This leads to new state-of-the-art results on this task, along with insightful interpretations.

To appear at the 2018 ICML/IJCAI Workshop on Computational Biology. 5 pages, 6 figures

Country
United Kingdom
Related Organizations
Keywords

Models, Molecular, FOS: Computer and information sciences, Computer Science - Machine Learning, Protein Conformation, Machine Learning (stat.ML), Quantitative Biology - Quantitative Methods, Antibodies, Machine Learning (cs.LG), antigen, Statistics - Machine Learning, àtrous, antibody, Antigens, paratope, Quantitative Methods (q-bio.QM), Biomolecules (q-bio.BM), cross-modal, attention, Quantitative Biology - Biomolecules, FOS: Biological sciences, Binding Sites, Antibody, Neural Networks, Computer

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
52
Top 1%
Top 10%
Top 10%
Green
bronze