Corpus ID: 235899176

Shape Complementarity Optimization of Antibody-Antigen Interfaces: the Application to SARS-CoV-2 Spike Protein

@inproceedings{Lauro2021ShapeCO,
  title={Shape Complementarity Optimization of Antibody-Antigen Interfaces: the Application to SARS-CoV-2 Spike Protein},
  author={Alfredo De Lauro and Lorenzo Di Rienzo and Mattia Miotto and Pier Paolo Olimpieri and Edoardo Milanetti and Giancarlo Ruocco},
  year={2021}
}
Biomolecules binding is influenced by many factors and its assessment constitutes a very hard challenge in computational structural biology. In this respect, the evaluation of shape complementarity at molecular interfaces is one of the key factors to be considered. Focusing on the peculiar case of antibody-antigen interaction, we designed a novel computational strategy based on the in-silico mutagenesis of residues of the antibody binding site, where a Monte Carlo procedure aims at increasing… Expand

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