G2VTCR: predicting antigen binding specificity by Weisfeiler-Lehman graph embedding of T cell receptor sequences.

ABSTRACT: The binding of peptide-MHC complexes by T cell receptors (TCRs) is crucial for T cell antigen recognition in adaptive immunity. High-throughput multiplex assays have generated valuable data and insights about antigen specificity of TCRs. However, identifying which TCRs recognize which antigens remains a significant challenge due to the immense diversity of TCR. Here we describe G2VTCR (Graph2Vec-based Representation and Embedding of TCR and Targets for Enhanced Recognition Analysis), a computational method that uses atomic level graph embedding to predict TCR-antigen recognition. G2VTCR represents antigens and the third complementarity-determining region (CDR3) of TCR sequences using graphs, in which nodes encode atomic identities and edges encode chemical bonds between atoms, and then use

SUBMITTER: Wang Z 

PROVIDER: S-EPMC12247743 | biostudies-literature | 2025 May

REPOSITORIES: biostudies-literature