Autodock Vina [1] is one of the most widely used bioinformatics software for computational docking. For beginners and those who are new to the field of bioinformatics, such software may appear confusing without having an initial idea of what this software actually used for. In this article, we have discussed some of the primary uses and applications of Autodock Vina software.

Some of the primary uses of Autodock Vina are as follows:

• The most primary use of Autodock Vina is for different types of docking including site-specific, blind docking, protein-ligand, and so on.
• Besides docking, Autodock Vina (Autodock Tools) helps in editing protein and ligands including their structure modifications.
• It is also used for the virtual screening of large or small libraries of molecules.
• It is easily accessible on Linux as well as on Windows.
• The GUI of Autodock Tools helps can be used to visualize interactions between the receptor and the ligand.
• It can be used to analyze the docking results.
• Easy conversion of PDB to PDBQT format.
• It is used to perform rigid as well as flexible docking.
• Easy analysis of virtual screening results.

These are some of the basic uses of Autodock Vina.

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References

1. Trott, O., & Olson, A. J. (2010). AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of computational chemistry, 31(2), 455-461.

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Further Reading

How to perform virtual screening using Autodock Vina?

Video tutorial: How to install Autodock Vina on Ubuntu?

Tutorial: Vina Output Analysis Using PyMol

How to perform docking in a specific binding site using AutoDock Vina?