Table 3.
Receptor Names | PDB IDs | Global Energy | Attractive VdW | Repulsive VdW | ACE | HB |
---|---|---|---|---|---|---|
Estrogen receptor (ER) | 1QKU | −48.29 | −30.94 | 22.87 | −11.63 | −3.04 |
Progesterone receptor (PR) | 2OVH | −21.78 | −23.16 | 10.44 | −0.43 | −1.03 |
Human epidermal growth factor receptor (HER2) | 3GOP | −31.65 | −17.47 | 2.92 | −4.21 | −2.26 |
Mind bomb (Mib) protein | 4TSE | −51.27 | −25.50 | 18.61 | −11.15 | −6.86 |
Ki-67 | 5J28 | −56.62 | −25.30 | 11.74 | −17.16 | −2.50 |
Notes: Global Energy - The binding energy of the solution. Attractive and Repulsive VdW - The contribution made by the van der Waals forces to the global binding energy. ACE - The contribution made by the atomic contact energy (ACE) to the global binding energy. HB - The contribution made by the hydrogen bonds to the global binding energy.