Geometric epitope and paratope prediction.

Journal: Bioinformatics (Oxford, England)
PMID: 38984742

Abstract

MOTIVATION: Identifying the binding sites of antibodies is essential for developing vaccines and synthetic antibodies. In this article, we investigate the optimal representation for predicting the binding sites in the two molecules and emphasize the importance of geometric information.

Authors

  • Marco Pegoraro
    Department of Computer Science, Sapienza University of Rome, 00185, Italy.
  • Clémentine Dominé
    Gatsby Computational Neuroscience Unit, University College London, W1T 4JG, United-Kingdom.
  • Emanuele Rodolà
    Department of Computer Science, Sapienza University of Rome, 00185, Italy.
  • Petar Veličković
    Computer Laboratory, University of Cambridge, Cambridge, Cambs, England, United Kingdom.
  • Andreea Deac
    Mila - Quebec AI Institute, Montreal, Quebec, Canada.

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