The technique namely “Molecular Docking” is a docking technique in which tiny molecules transforms into macromolecular structure for scoring values of complementary at the site of binding. It refers to a flourishing field of research with the use of attractive methods of drug design, their optimization techniques, and pathway of biochemical reaction. In order to get docking experiment successfully, affinity position along with correct position are the two foundations that are helpful. In terms of getting accuracy in docking, each software has its disadvantages and advantages.