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Insights into molecular docking: A comprehensive view

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Review Article

Author Details : Krishna R. Gupta, Yogeshri J. Jibhkate, Atul T. Hemke, Milind J Umekar, Sushil S. Burle*

Volume : 10, Issue : 3, Year : 2023

Article Page : 175-184

https://doi.org/10.18231/j.ijpca.2023.030

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Abstract

Molecular docking software is mainly used in drug development. Molecular docking offers a wide range of useful techniques for the creation and analysis of pharmaceuticals. Before now, predicting the target for a receptor was extremely challenging however, docking the target protein with a ligand is a straightforward and dependable procedure presently and binding affinity is designed. To see a molecule's three-dimensional structure, a variety of docking tools have been created. The docking score can also be examined using a variety of computational techniques. This review mainly emphases on the core idea of molecular docking, as well as its major uses and many kinds of interaction, Basics requirements for molecular docking, Molecular Approach, Application, and Software available for the Docking of molecules.

Keywords: CADD, Computational Method, Protein databank, Docking, Virtual Screening

How to cite : Gupta K R, Jibhkate Y J, Hemke A T, Umekar M J, Burle S S, Insights into molecular docking: A comprehensive view. Int J Pharm Chem Anal 2023;10(3):175-184

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