Structural computational biology

Structural Immunoinformatics

PepSim

PepSim is a novel score that predicts T-cell cross-reactivity based on the structural and biochemical similarity of human pMHCs.

Increasing cross-reactivity prediction accuracy

Pepsim can accurately separate cross-reactive from non-crossreactive human pMHCs in a diverse set of datasets including cancer, viral, and self-peptides.

PepSim generalization

PepSim can be generalized to work on any dataset of class I human pMHCs

Further Links

Check out our online web server here: Web server
You can find the paper here: Reference

References

If you use Pepsim in your work, please cite the tool as shown:

S. Hall-Swan, J. Slone, M. M. Rigo, D. A. Antunes, G. Lizée, and L. E. Kavraki, “PepSim: T-cell cross-reactivity prediction via comparison of peptide sequence and peptide-HLA structure,” Frontiers in Immunology, vol. 14, 2023.
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PepSim

Increasing cross-reactivity prediction accuracy

PepSim generalization

Further Links

References

S. Hall-Swan, J. Slone, M. M. Rigo, D. A. Antunes, G. Lizée, and L. E. Kavraki, “PepSim: T-cell cross-reactivity prediction via comparison of peptide sequence and peptide-HLA structure,” Frontiers in Immunology, vol. 14, 2023.