| Complex | Binding energy (kcal/mol) | Chain (residue in contact) [AAa--LIGa] | Bond type | Bond distance (Å) |
| Nicotine-BSA | −5.7 | B (TYR 160) [H-H---N] | Hydrogen | 3.08 |
| B (LEU 115) [Alkyl] | Hydrophobic | 4.38 | ||
| B (LYS 136) [Alkyl] | Hydrophobic | 4.26 | ||
| B (PHE 133) [Pi-Alkyl] | Hydrophobic | 4.70 | ||
| B (TYR 137) [Pi-Alkyl] | Hydrophobic | 5.40 | ||
| Pantoprazole-BSA | −8.3 | A (His 145) [HD1--O] | Conventional | 2.165 |
| A (Pro 146) [CD--F] | Carbon | 3.401 | ||
| A(Glu 186) [OE1--C] | Carbon | 3.399 | ||
| A (Thr 190) [OG1--C] | Carbon | 3.661 | ||
| A (Thr 190) [OG1--C] | Carbon | 3.573 | ||
| A (Asp 108) [OD1--F] | Halogen (F) | 3.148 | ||
| A (Arg 458) [NH1--L] | Pi-Cation | 3.917 | ||
| A (Arg 458) [NH1--L] | Pi-Cation | 4.422 | ||
| A (Ala 193) [Pi--A] | Pi-Alkyl | 4.866 | ||
| A (Arg 196) [Pi--A] | Pi-Alkyl | 5.015 | ||
| A (Arg 458) [Pi--A] | Pi-Alkyl | 5.199 |