Considering that a small molecule can have dozens of atoms of different types and different modeled types of interactions (electrostatic, van der Waals, torsional energies, bond stretching, angular orbital overlaps, hydrogen bonds, solvent interactions, and others), this interaction and the maximization of binding energy is transcendental in nature. In addition, the protein amino acids in the docking cavity have side chains that are flexible, and the docking software CCDC GOLD models this.