Conversion of discoidal phospholipid (PL)-rich high density lipoprotein (HDL) to spheroidal
cholesteryl ester-rich HDL is a central step in reverse cholesterol transport. A detailed
understanding of this process and the atheroprotective role of apolipoprotein AI (apoA-I)
requires knowledge of the structure and dynamics of these various particles. This study,
combining computation with experimentation, illuminates structural features of apoA-I
allowing it to incorporate varying amounts of PL. Molecular dynamics simulated annealing of …