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Using molecular dynamics simulations to interrogate T cell receptor non-equilibrium kinetics

An atomic-scale mechanism of T Cell Receptor (TCR) mechanosensing of peptides in the binding groove of the peptide-major histocompatibility complex (pMHC) may inform the design of novel TCRs for immunotherapies. Using steered molecular dynamics simulations, our study demonstrates that mutations to p...

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Detalles Bibliográficos
Autores principales: Rollins, Zachary A., Faller, Roland, George, Steven C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9092387/
https://www.ncbi.nlm.nih.gov/pubmed/35832631
http://dx.doi.org/10.1016/j.csbj.2022.04.018