Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00184, Rome, Italy.
Istituto Pasteur-Fondazione Cenci Bolognetti, Viale Regina Elena 291, 00161, Rome, Italy.
Sci Rep. 2017 Mar 24;7:45053. doi: 10.1038/srep45053.
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.
我们在这里描述了一种基于 Zernike 矩的、用于比较抗体结合位点表面的无叠加方法，并表明它们可以用于快速比较和聚类抗体集。这些聚类提供了关于结合抗原性质的信息，当与一种预测直接抗体抗原接触数量的方法结合使用时，可以区分蛋白质和非蛋白质结合抗体，准确率为 76%。这在抗体科学的几个方面都具有相关性，例如选择用于组合抗体文库的框架。
