Lipid Exchange Mechanism of the Cholesteryl Ester Transfer Protein Clarified by Atomistic and Coarse-grained Simulations
Figure 2
The binding of CETP to lipid surfaces with different curvatures.
A) Snapshots from the end of atomistic simulations A3 and A4. POPCs are transparent and grey, and COs are orange. Water molecules were omitted for clarity. CETP is rendered using secondary structures and Trp residues are marked with green color. Dashed and yellow lines present the curvature of CETP. B) RMSD and radii of gyration profiles for CETP in droplet and trilayer simulations. C) Radial distribution functions and density profiles for the droplet and trilayer systems, respectively.