3.8 Article

Molecular docking and MD: mimicking the real biological process

Journal

PHYSICAL SCIENCES REVIEWS
Volume -, Issue -, Pages -

Publisher

WALTER DE GRUYTER GMBH
DOI: 10.1515/psr-2018-0164

Keywords

biological processes; drug discovery; modeling strategy; molecular docking; simulation

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

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