Molecular docking is a study of receptor of protein fit together. The problem is like solving a 3
dimensional puzzle. For example, the action of a harmful protein in human body may be prohibited by
finding an inhibitor, which binds to that particular protein. Molecular modeling encompasses all
theoretical methods and computational techniques used to model or mimic the behaviour of molecules.
Molecular docking software’s are mainly used in drug development. The most important application of
docking software is virtual screening. In virtual screening the most interesting and promising molecules
are selected from an existing database for further research. This review has basic Information about
molecular modeling, molecular docking, basic concepts of docking, docking approaches, and mechanics
of docking, docking software’s for further development in this field.