A fingerprint approach to pioneer structure-based T cell receptor repertoire analysis and specificity prediction

TCRfp constitutes a rapid approach for high-throughput TCR comparison and repertoire analysis based on molecular 3D structures. When tested on a private dataset and combined with a basic sequence-based method via logistic regression, TCRfp surpassed existing approaches in predicting TCR specificities. TCRfp represents a structurally informed complement to sequence-based approaches and could enhance our ability to decode immune recognition.