
Keywords: Multiscale simulations; Drug-membrane systems; Potential of mean force; Enhanced sampling; DMPC; 1,2-dimyristoyl-sn-glycero-3-phosphocholine; DOPC; 1,2-dioleoyl-sn-glycero-3-phosphocholine; POPC; 1-palmitoyl-2-oleoylphosphatidylcholine; MD; molecular dyna