Molecular docking and MD: mimicking the real biological process

In the processes of molecular docking and simulation studies; the computational techniques have a vast and significant role in drug discovery process. The rigid view in the binding of both target and ligand is the basis of modeling strategy process. More evolution to such processes with the time has lead in revealing the path of understanding the dynamic nature of binding processes. In this chapter we have focused on molecular docking along with dynamic studies in reference to biological processes.

Automated summary

The significance of computational techniques in drug discovery, especially in molecular docking and dynamic studies, is explored in this chapter.