Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds.
Christopher T. LeeJeffrey ComerConner HerndonNelson LeungAnna PavlovaRobert V. SwiftChris TungChristopher N. RowleyRommie E. AmaroChristophe ChipotYi WangJames C. GumbartPublished in: J. Chem. Inf. Model. (2016)