ABodyBuilder3: Improved and Scalable Antibody Structure Predictions
Abstract
Accurate prediction of antibody structure is a central task in the design and development of monoclonal antibodies, notably to understand both their developability and their binding properties. In this article, we introduce ABodyBuilder3, an improved and scalable antibody structure prediction model based on ABodyBuilder2. We achieve a new state-of-the-art accuracy in the modelling of CDR loops by leveraging language model embeddings, and show how predicted structures can be further improved through careful relaxation strategies. Finally, we incorporate a predicted Local Distance Difference Test into the model output to allow for a more accurate estimation of uncertainties.
Cite
Text
Kenlay et al. "ABodyBuilder3: Improved and Scalable Antibody Structure Predictions." ICML 2024 Workshops: AccMLBio, 2024.Markdown
[Kenlay et al. "ABodyBuilder3: Improved and Scalable Antibody Structure Predictions." ICML 2024 Workshops: AccMLBio, 2024.](https://mlanthology.org/icmlw/2024/kenlay2024icmlw-abodybuilder3/)BibTeX
@inproceedings{kenlay2024icmlw-abodybuilder3,
title = {{ABodyBuilder3: Improved and Scalable Antibody Structure Predictions}},
author = {Kenlay, Henry and Dreyer, Frederic A and Cutting, Daniel and Nissley, Daniel Allen and Deane, Charlotte},
booktitle = {ICML 2024 Workshops: AccMLBio},
year = {2024},
url = {https://mlanthology.org/icmlw/2024/kenlay2024icmlw-abodybuilder3/}
}