Permeability of Small Molecules through a Lipid Bilayer: A Multiscale

Aug 10, 2009 - Jing Zhou , Micholas Dean Smith , Sarah J. Cooper , Xiaolin Cheng , Jeremy C. ... Valerie J. Winton , Claudia Aldrich , and Laura L. Ki...
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J. Phys. Chem. B 2009, 113, 12019–12029

12019

Permeability of Small Molecules through a Lipid Bilayer: A Multiscale Simulation Study Mario Orsi,† Wendy E. Sanderson,‡ and Jonathan W. Essex*,† School of Chemistry, UniVersity of Southampton, Southampton, SO17 1BJ United Kingdom, and Johnson & Johnson PRD, Janssen Pharmaceutica NV, Beerse, 2340 Belgium ReceiVed: April 8, 2009; ReVised Manuscript ReceiVed: June 25, 2009

The transmembrane permeation of eight small (molecular weight