Table 2. Average interaction energies and their standard deviations between CETP and anacetrapib.

Simulation	Evdw (kJ/mol)	Eelectrostatic (kJ/mol)
S1-helix	−105.7±3.8	−30.0±7.8
S2-1nm	−117.8±4.4	−18.4±2.0
S3-2nm	−115.8±17.0	−13.7±1.4
S4-3nm	Small figure	Small figure
S5-4nm	−38.4±19.0	−1.7±0.7
S6-convex	−4.5±4.3	−0.1±0.1
S7-1N	−68.1±0.4	−5.0±0.1
S8-2N	−93.1±25.0	−20.1±6.8
S9-1C	−79.1±8.2	−7.4±2.0
S10-3C	−45.1±19.0	−5.9±2.9
L2, N-terminal anacetrapib	−193.0±5.5	−8.7±1.7
L2, C-terminal anacetrapib	−228.0±1.1	−4.7±0.3
L4	−217.1±3.2	−17.1±3.3
L5	−199.4±1.4	−12.1±0.9