Table 1. Average MM/PBSA free energies of dimer-bilayer complexes calculated from the MD simulations performed in quintuplicate.

	A-ECG dimer	A-EGCG dimer	A-EC dimer	B-EC dimer
van der Waal energy (kJ/mol)	−218.76 ± 15.18	−232.86 ± 15.27	−151.58 ± 11.01	−135.77 ± 8.57
Electrostattic energy (kJ/mol)	−168.83 ± 19.27	−250.67 ± 11.46	−164.05 ± 7.12	−138.36 ± 9.31
Polar solvation energy (kJ/mol)	328.85 ± 17.46	346.48 ± 11.19	336.01 ± 12.71	306.33 ± 10.16
SASA energy (kJ/mol)	−62.60 ± 8.79	−42.30 ± 6.02	−71.10 ± 6.14	−63.11 ± 6.40
Binding energy (kJ/mol)	−121.34 ± 12.87	−179.35 ± 7.09	−50.72 ± 4.85	−30.61 ± 3.97

Results were shown as the mean + SD of five replications.