Abstract
There are many aspects to understand biological interactions. Computational methods have been of great help to solve these problems, particularly where the experiment is least feasible or very costly. The mystery of biological problems and the success of theoretical approaches to solve them have led to develop newer and newer theoretical methods, which have been largely facilitated by the development of efficient computers. They are now cheap and save time and money both to solve any problem. Results are almost verified by experiment. For biological systems, quantitative structure–activity relationship (QSAR) and molecular modeling studies have acquired the leading role. In this chapter, the application QSAR and molecular modeling approaches in the design and development of inhibitors of various viral proteases is discussed.
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