Table 3. Average interaction energies and their standard deviations between different particles in longer 200 ns simulations.

Simulation	Molecule-molecule pair	Evdw (kJ/mol)	Eelectrostatic (kJ/mol)
L1	CETP-DOPC	−752.8±12.0	−229.8±6.9
L2	CETP-DOPC	−613.3±5.5	−263.5±12.0
L2	DOPC-anacetrapib	−70.7±2.1	−2.8±1.0
L3	CETP-DOPC	−590.0±5.4	−215.0±24.0
L3	CETP-CE	−666.4±3.2	4.6±0.4
L3	DOPC-CE	−95.0±1.1	2.3±0.1
L5	CETP-DOPC	−299.4±8.2	−80.0±8.6
L5	CETP-CE	−604.7±4.8	6.5±0.4
L5	DOPC-CE	−40.7±3.4	1.0±0.2
L5	DOPC-anacetrapib	Small figure	Small figure
L5	CE-anacetrapib	−70.5	−7.5