Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes

Natural supplies of bryostatin, a compound in clinical trials for Alzheimer’s disease, cancer, and HIV, are scarce. Here, the authors perform molecular dynamics simulations to understand how bryostatin interacts with membrane-bound protein kinase C, offering insights for the design of bryostatin ana...

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Autores principales: Steven M. Ryckbosch, Paul A. Wender, Vijay S. Pande
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/78cf93730c7546aa81864384d812eaa5
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spelling oai:doaj.org-article:78cf93730c7546aa81864384d812eaa52021-12-02T13:24:05ZMolecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes10.1038/s41467-016-0015-82041-1723https://doaj.org/article/78cf93730c7546aa81864384d812eaa52017-02-01T00:00:00Zhttps://doi.org/10.1038/s41467-016-0015-8https://doaj.org/toc/2041-1723Natural supplies of bryostatin, a compound in clinical trials for Alzheimer’s disease, cancer, and HIV, are scarce. Here, the authors perform molecular dynamics simulations to understand how bryostatin interacts with membrane-bound protein kinase C, offering insights for the design of bryostatin analogs.Steven M. RyckboschPaul A. WenderVijay S. PandeNature PortfolioarticleScienceQENNature Communications, Vol 8, Iss 1, Pp 1-10 (2017)
institution DOAJ
collection DOAJ
language EN
topic Science
Q
spellingShingle Science
Q
Steven M. Ryckbosch
Paul A. Wender
Vijay S. Pande
Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes
description Natural supplies of bryostatin, a compound in clinical trials for Alzheimer’s disease, cancer, and HIV, are scarce. Here, the authors perform molecular dynamics simulations to understand how bryostatin interacts with membrane-bound protein kinase C, offering insights for the design of bryostatin analogs.
format article
author Steven M. Ryckbosch
Paul A. Wender
Vijay S. Pande
author_facet Steven M. Ryckbosch
Paul A. Wender
Vijay S. Pande
author_sort Steven M. Ryckbosch
title Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes
title_short Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes
title_full Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes
title_fullStr Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes
title_full_unstemmed Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes
title_sort molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes
publisher Nature Portfolio
publishDate 2017
url https://doaj.org/article/78cf93730c7546aa81864384d812eaa5
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AT paulawender moleculardynamicssimulationsrevealligandcontrolledpositioningofaperipheralproteincomplexinmembranes
AT vijayspande moleculardynamicssimulationsrevealligandcontrolledpositioningofaperipheralproteincomplexinmembranes
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