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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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Autori principali: Wolfgang Schreiner, Rudolf Karch, Michael Cibena, Lisa Tomasiak, Michael Kenn, Georg Pfeiler
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Association for the Advancement of Science (AAAS) 2023-01-01
Serie:Computational and Structural Biotechnology Journal
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Accesso online:http://www.sciencedirect.com/science/article/pii/S2001037023002386
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