Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds

Christopher T. Lee, Jeffrey Comer, Conner Herndon, Nelson Leung, Anna Pavlova, Robert V. Swift, Chris Tung, Christopher N. Rowley, Rommie E. Amaro, Christophe Chipot, Yi Wang, James C. Gumbart. Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds. Journal of Chemical Information and Computer Sciences, 56(4):721-733, 2016. [doi]

Abstract

Abstract is missing.