Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies

Antibodies have the capacity to bind a diverse set of antigens, and they have become critical therapeutics and diagnostic molecules. The binding of antibodies is facilitated by a set of six hypervariable loops that are diversified through genetic recombination and mutation. Even with recent advances, accurate structural prediction of these loops remains a challenge. Here, we present IgFold, a fast deep learning method for antibody structure prediction. IgFold consists of a pre-trained language model trained on 558 million natural antibody sequences followed by graph networks that directly predict backbone atom coordinates. IgFold predicts structures of similar or better quality than alternative methods…

• A
  AstraZeneca

  Award: R35-GM141881
• JH
  Johns Hopkins University
• NI
  National Institutes of Health

  Awards: GM078221, R01-GM078221, R35-GM141881
• UO
  University of California, San Francisco