The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment.

Despite decades of research, the mechanism of action of the ABC multidrug transporter P-glycoprotein (P-gp) remains elusive. Due to experimental limitations, many researchers have turned to molecular dynamics simulation studies in order to investigate different aspects of P-gp function. However, suc...

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Bibliographic Details
Main Authors: Karmen Condic-Jurkic, Nandhitha Subramanian, Alan E Mark, Megan L O'Mara
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2018-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC5785007?pdf=render