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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Bibliographic Details
Main Authors: Steven M. Ryckbosch, Paul A. Wender, Vijay S. Pande
Format: Article
Language:English
Published: Nature Publishing Group 2017-02-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-016-0015-8