Novel machine learning approaches revolutionize protein knowledge.

Journal: Trends in biochemical sciences
Published Date:

Abstract

Breakthrough methods in machine learning (ML), protein structure prediction, and novel ultrafast structural aligners are revolutionizing structural biology. Obtaining accurate models of proteins and annotating their functions on a large scale is no longer limited by time and resources. The most recent method to be top ranked by the Critical Assessment of Structure Prediction (CASP) assessment, AlphaFold 2 (AF2), is capable of building structural models with an accuracy comparable to that of experimental structures. Annotations of 3D models are keeping pace with the deposition of the structures due to advancements in protein language models (pLMs) and structural aligners that help validate these transferred annotations. In this review we describe how recent developments in ML for protein science are making large-scale structural bioinformatics available to the general scientific community.

Authors

  • Nicola Bordin
    Institute of Structural and Molecular Biology, University College London, Gower St, WC1E 6BT London, UK.
  • Christian Dallago
    Department of Informatics, Bioinformatics & Computational Biology - i12, TUM (Technical University of Munich), Boltzmannstr. 3, 85748, Garching/Munich, Germany.
  • Michael Heinzinger
    Department of Informatics, Bioinformatics & Computational Biology - i12, TUM (Technical University of Munich), Boltzmannstr. 3, 85748, Garching/Munich, Germany. mheinzinger@rostlab.org.
  • Stephanie Kim
    School of Biological Sciences, Seoul National University, Seoul, South Korea; Artificial Intelligence Institute, Seoul National University, Seoul, South Korea.
  • Maria Littmann
    TUM (Technical University of Munich) Department of Informatics, Bioinformatics & Computational Biology, Garching/Munich, Germany.
  • Clemens Rauer
    Institute of Structural and Molecular Biology, University College London, Gower St, WC1E 6BT London, UK.
  • Martin Steinegger
    School of Biological Sciences, Seoul National University, Seoul, South Korea.
  • Burkhard Rost
  • Christine Orengo
    Institute of Structural and Molecular Biology, University College London, London, UK. c.orengo@ucl.ac.uk.