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

no code implementations • 15 Jul 2021 • Alfredo De Lauro, Lorenzo Di Rienzo, Mattia Miotto, Pier Paolo Olimpieri, Edoardo Milanetti, Giancarlo Ruocco

We developed a Monte Carlo procedure to increase the shape complementarity between the antibody paratope and a given epitope on a target protein surface.

Molecular Docking