Figure 1.

Process flow diagram for the protein–protein structure prediction of TCRs to a target pMHC. The process begins with single cell V(D)J RNA sequencing of the T cells from resected tumors of 16 colorectal cancer patients (left). Then, protein–protein structure prediction of TCRs sequenced from patients bound to a pMHC (HLA‐A2) with a restricted target peptide CEA_571–579 (middle right) is performed. Finally, we run molecular dynamics simulations to equilibrate the structure and rank TCRs based on the number of interactions at equilibrium (right).