proABC-2: PRediction of AntiBody contacts v2 and its application to information-driven docking.

Journal: Bioinformatics (Oxford, England)
Published Date: Dec 22, 2020

Abstract

MOTIVATION: Monoclonal antibodies are essential tools in the contemporary therapeutic armory. Understanding how these recognize their antigen is a fundamental step in their rational design and engineering. The rising amount of publicly available data is catalyzing the development of computational approaches able to offer valuable, faster and cheaper alternatives to classical experimental methodologies used for the study of antibody-antigen complexes.

Authors

  • Francesco Ambrosetti
    Department of Physics, Sapienza University, 00184 Rome, Italy.
  • Tobias Hegelund Olsen
    Department of Health Technology, Technical University of Denmark, Kongens Lyngby, Denmark.
  • Pier Paolo Olimpieri
    Department of Physics, Sapienza University, 00184 Rome, Italy.
  • Brian Jiménez-García
    Department of Chemistry, Faculty of Science, Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Utrecht University, Utrecht 3584CH, The Netherlands.
  • Edoardo Milanetti
    Department of Physics, Sapienza University, 00184 Rome, Italy.
  • Paolo Marcatilli
    Department of Health Technology, Technical University of Denmark, Kgs. Lyngby 2800, Denmark.
  • Alexandre M J J Bonvin
    Bijvoet Center for Biomolecular Research, Faculty of Science-Chemistry, Utrecht University, Utrecht 3584CH, The Netherlands. a.m.j.j.bonvin@uu.nl.

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