Article
Markov state modeling reveals alternative unbinding pathways for peptide-MHC complexes.
Proceedings of the National Academy of Sciences of the United States of America - 1 Dec 2020
Abella Jayvee R, Antunes Dinler, Jackson Kyle, Lizée Gregory, Clementi Cecilia, Kavraki Lydia E
Abstract excerpt
Peptide binding to major histocompatibility complexes (MHCs) is a central component of the immune system, and understanding the mechanism behind stable peptide-MHC binding will aid the development of immunotherapies. While MHC binding is mostly influenced by the identity of the so-called anchor positions of the peptide, secondary interactions from nonanchor positions are known to play a role in complex stability....
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