P-gp	P-glycoprotein
ABC	ATP-binding cassette
BMEC	brain microvascular endothelial cell
BBB	blood–brain barrier
TMD	transmembrane domain
NBD	nucleotide binding domain
MD	molecular dynamics
CG	coarse-grain
POPC	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
POPE	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
POSM	palmitoyl sphingomyelin
SLPC	1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine
PAPS	1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoserine
PAPE	1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine
PAPC	1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine
SAPI	stearoyl arachidonoyl phosphatidylinositol
SMILES	Simplified Molecular Input Line Entry System
PDB	Protein Data Bank
COM	center of mass
CFTR	cystic fibrosis transmembrane conductance regulator
pTM	predicted TM score
ipTM	interface predicted TM score
pLDDT	predicted local distance difference test
IC50	half-maximal inhibitory concentration
pIC50	negative log of IC50
QMEAN	qualitative model energy analysis
MSA	multiple sequence alignment
PME	particle mesh Ewald
LINCS	linear constraint solver
GROMACS	Groningen Machine for Chemical Simulations