As structures of more and more protein targets become available through crystallography, NMR and bioinformatics methods, there is an increasing requirement of computational programs that can identify and analyze active sites and suggest potential drug molecules. Time and cost required for designing a new drug are immense and at an unacceptable level. A new prescription drug costs more and take up to 10 to 15 years of research to develop before it is introduced in the market. Intervention of computation at some reasonable steps is imperative to bring down the cost and time required in the drug discovery process. In silico modeling is a form of computer based modeling whose technologies are applied in drug target identification or drug discovery processes, cell analysis of prokaryotic and eukaryotic hosts and bioprocess development, optimization, analysis and interpretation of heterogeneous data sets from various sources.