Predicting binding to p-glycoprotein by flexible receptor docking.

P-glycoprotein (P-gp) is an ATP-dependent transport protein that is selectively expressed at entry points of xenobiotics where, acting as an efflux pump, it prevents their entering sensitive organs. The protein also plays a key role in the absorption and blood-brain barrier penetration of many drugs...

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Bibliographic Details
Main Authors: Elena Dolghih, Clifford Bryant, Adam R Renslo, Matthew P Jacobson
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2011-06-01
Series:PLoS Computational Biology
Online Access:http://europepmc.org/articles/PMC3121697?pdf=render