This book contain the detailed information on protein modelling using Modeller and molecular docking using Autodock. Further data analysis also has been explained in the result section. These techniques comes under the structural biology, a major branch of bioinformatics. With the increase in information about genome sequences, we need to use computational techniques which is cheap, less time is consumed and efficient. A key goal of structural biology is to predict three dimensional structure of a protein. And then molecular docking to bind the protein molecule with ligand molecule. This information further can lead to the drug designing, depend upon the ligand used for docking what impact the ligand has on the protein molecule. Future investigations have been explained in the discussion chapter.