Machine learning for functional protein design.

Nature biotechnology
Authors
Abstract

Recent breakthroughs in AI coupled with the rapid accumulation of protein sequence and structure data have radically transformed computational protein design. New methods promise to escape the constraints of natural and laboratory evolution, accelerating the generation of proteins for applications in biotechnology and medicine. To make sense of the exploding diversity of machine learning approaches, we introduce a unifying framework that classifies models on the basis of their use of three core data modalities: sequences, structures and functional labels. We discuss the new capabilities and outstanding challenges for the practical design of enzymes, antibodies, vaccines, nanomachines and more. We then highlight trends shaping the future of this field, from large-scale assays to more robust benchmarks, multimodal foundation models, enhanced sampling strategies and laboratory automation.

Year of Publication
2024
Journal
Nature biotechnology
Volume
42
Issue
2
Pages
216-228
Date Published
02/2024
ISSN
1546-1696
DOI
10.1038/s41587-024-02127-0
PubMed ID
38361074
Links