Docking is a computational procedure of searching for an appropriate ligand that fits both energetically and geometrically the protein's binding site. In other words, it is a study of how two or more molecules e.g. ligand and protein, fit together. For performing molecular docking, primarily two types of approaches are used. Simulation approach. Here the ligand and target is being separated by physical distance and then ligand is allowed to bind into groove of target after “definite times of moves” in its conformational space.The complementary partner molecule which binds to the receptor.In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex.