Permeability of Small Molecules through a Lipid Bilayer: A

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