Generation of the configurational ensemble of an intrinsically disordered protein from unbiased molecular dynamics simulation

Intrinsically disordered proteins (IDPs) are abundant in eukaryotic proteomes, play a major role in cell signaling, and are associated with human diseases. To understand IDP function it is critical to determine their configurational ensemble, i.e., the collection of 3-dimensional structures they ado...

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Veröffentlicht in:Proc Natl Acad Sci U S A
Hauptverfasser: Shrestha, Utsab R., Juneja, Puneet, Zhang, Qiu, Gurumoorthy, Viswanathan, Borreguero, Jose M., Urban, Volker, Cheng, Xiaolin, Pingali, Sai Venkatesh, Smith, Jeremy C., O’Neill, Hugh M., Petridis, Loukas
Format: Artigo
Sprache:Inglês
Veröffentlicht: National Academy of Sciences 2019
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PNAS Plus
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6789927/
https://ncbi.nlm.nih.gov/pubmed/31548393
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1907251116
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