Computer Aided Drug Design

Kumar, Bhupinder; Chawla, Pooja; Chawla, Viney

doi:10.1007/978-981-16-5180-9_16

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2023

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“…higher specificity and a stable compound of potential efficacy. 4 Fig. 1: Schematic design of docking a small molecule ligand to a protein target making a stable complex 2.…”

Section: Introductionmentioning

confidence: 99%

Insights into molecular docking: A comprehensive view

Burle,

Gupta,

Jibhkate

et al. 2023

IJPCA

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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.

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“…higher specificity and a stable compound of potential efficacy. 4 Fig. 1: Schematic design of docking a small molecule ligand to a protein target making a stable complex 2.…”

Section: Introductionmentioning

confidence: 99%