Simulation data for "Overcoming T cell tolerance to tumor self-antigens through catch-bond engineering"

Simulations of the TCR-pMHC complexes for Chen et al., 2025. This repository contains simulations of either WT or S32M TCR complexes (as described in Methods). To view simulations in VMD, please load the system_renum.pdb (coordinate), system.prmtop (topology) and .dcd (trajectory) file into the same molecule. Frames downsampled to every 10 ns.