Brief Introduction -- Ligand-Based Approaches for Drug Design Using Computational Techniques -- Structure-Based Approaches for Drug Design Using Computational Technique -- Three-Dimensional Pharmacophore Modeling-Based Drug Design Using Computational Techniques -- Molecular Dynamics Simulation Approaches to Investigate the Dynamic Behavior of a System Through the Application of Newtonian Mechanics -- Receptor Thermodynamics of Ligand−Receptor and Ligand−Enzyme Association -- Thermodynamics Cycles and Their Application in Protein Targets -- Genomics and Proteomics Using Computational Biology.