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Clustering molecular dynamics conformations of the CC’-loop of the PD-1 immuno-checkpoint receptor

Molecular mechanisms within the checkpoint receptor PD-1 are essential for its activation by PD-L1 as well as for blocking such an activation via checkpoint inhibitors. We use molecular dynamics to scrutinize patterns of atomic motion in PD-1 without a ligand. Molecular dynamics is performed for the...

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Detalles Bibliográficos
Autores principales: Schreiner, Wolfgang, Karch, Rudolf, Cibena, Michael, Tomasiak, Lisa, Kenn, Michael, Pfeiler, Georg
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10432919/
https://www.ncbi.nlm.nih.gov/pubmed/37602229
http://dx.doi.org/10.1016/j.csbj.2023.07.004