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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Nature Portfolio
2017
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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) |
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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 |
work_keys_str_mv |
AT stevenmryckbosch moleculardynamicssimulationsrevealligandcontrolledpositioningofaperipheralproteincomplexinmembranes AT paulawender moleculardynamicssimulationsrevealligandcontrolledpositioningofaperipheralproteincomplexinmembranes AT vijayspande moleculardynamicssimulationsrevealligandcontrolledpositioningofaperipheralproteincomplexinmembranes |
_version_ |
1718393159522713600 |