Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen.
We describe here a superposition free method for comparing the surfaces of antibody binding sites based on the Zernike moments and show that they can be used to quickly compare and cluster sets of antibodies. The clusters provide information about the nature of the bound antigen that, when combined with a method for predicting the number of direct antibody antigen contacts, allows the discrimination between protein and non-protein binding antibodies with an accuracy of 76%. This is of relevance in several aspects of antibody science, for example to select the framework to be used for a combinatorial antibody library.
Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00184, Rome, Italy.
Lorenzo
L
Di Rienzo
Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00184, Rome, Italy.
Edoardo
E
Milanetti
Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00184, Rome, Italy.|Istituto Pasteur-Fondazione Cenci Bolognetti, Viale Regina Elena 291, 00161, Rome, Italy.
Rosalba
R
Lepore
Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00184, Rome, Italy.
Pier Paolo
PP
Olimpieri
Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00184, Rome, Italy.|Istituto Pasteur-Fondazione Cenci Bolognetti, Viale Regina Elena 291, 00161, Rome, Italy.
Anna
A
Tramontano
D000818:Animals; D000936:Antigen-Antibody Complex / Q000737:chemistry* / Q000276:immunology; D001665:Binding Sites; D016000:Cluster Analysis; D006241:Haptens / Q000737:chemistry* / Q000276:immunology; D006801:Humans; D062105:Molecular Docking Simulation
D000936:Antigen-Antibody Complex; D006241:Haptens