ABodyBuilder3: improved and scalable antibody structure predictions.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 39363504.
- Also identified by DOI 10.1093/bioinformatics/btae576 and PMC identifier 11474105.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
Abstract
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. The software package is available at https://github.com/Exscientia/ABodyBuilder3 with model weights and data at https://zenodo.org/records/11354577.
Medical subject headings
- Software
- Antibodies