The opportunities and challenges posed by the new generation of deep learning-based protein structure predictors.

Journal: Current opinion in structural biology
Published Date:

Abstract

The function of proteins can often be inferred from their three-dimensional structures. Experimental structural biologists spent decades studying these structures, but the accelerated pace of protein sequencing continuously increases the gaps between sequences and structures. The early 2020s saw the advent of a new generation of deep learning-based protein structure prediction tools that offer the potential to predict structures based on any number of protein sequences. In this review, we give an overview of the impact of this new generation of structure prediction tools, with examples of the impacted field in the life sciences. We discuss the novel opportunities and new scientific and technical challenges these tools present to the broader scientific community. Finally, we highlight some potential directions for the future of computational protein structure prediction.

Authors

  • Mihaly Varadi
    Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Welcome Genome Campus, Hinxton, Cambridge, CB10 1SD, UK. Electronic address: mvaradi@ebi.ac.uk.
  • Nicola Bordin
    Institute of Structural and Molecular Biology, University College London, Gower St, WC1E 6BT London, UK.
  • Christine Orengo
    Institute of Structural and Molecular Biology, University College London, London, UK. c.orengo@ucl.ac.uk.
  • Sameer Velankar
    European Molecular Biology Laboratory, European Bioinformatics Institute, Hinxton, UK.