A recent paper written by RCPTM sicentists has been chosen as a Cover Art of Journal of Chemical Theory and Computation (IF2010 = 5,138). Atomistic molecular dynamics (MD) simulations of drug-like molecules embedded in lipid bilayers are of considerable interest as models for drug penetration and positioning in biological membranes. Here we analyze partitioning of coumarin in dioleoylphosphatidylcholine (DOPC) bilayer, based on both multiple, unbiased 3 μs MD simulations (total length) and free energy profiles along the bilayer normal calculated by biased MD simulations (7 μs in total). Based on the MD simulations, we recommend a suitable protocol to gain convergent free energy profiles.