Molecular docking is a method of studying the interaction between two molecules known as receptor molecules and the ligand molecule. The purpose of this method of docking is to predict the structure of the complex formed after the interaction of the ligand and receptor molecule through computation method. To understand further it is necessary to know what are a ligand and a receptor molecule, in common terms they are both proteins. The receptor molecule is often justified as a small protein molecule that is mobile with the body system such as hormones, enzymes and so. Whereas the ligand molecule is a bigger protein complex with different combinations of proteins bonded together having different protein receptors within them. This method of docking is a combination of different algorithms functioning together to compute the ligand-receptor interaction in all conformational sites possible of the protein. Throughout this docking, the basic concept of geometrical and chemical ma...