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How to perform blind docking using AutoDock Vina?

in Docking/Drug Discovery/Softwares/Tools by

Blind docking is done when the catalytic/binding residues are unknown in a protein, hence, the binding pocket is unknown. In a previous article, we showed how to perform site-specific docking using Autodock Vina, where we bound a ligand in a catalytic pocket of a protein. Now, this article will cover the blind docking using Autodock Vina. Continue reading “How to perform blind docking using AutoDock Vina?” »

Raccoon2: A GUI facilitating virtual screenings with Autodock and Autodock Vina

in Bioinformatics Programming/Docking/Drug Discovery by

In the previous article, a new plugin called ‘Raccoon’ was mentioned, which helps in preparing virtual screening using Autodock. It provides a simple graphical user interface (GUI) where you can easily load the ligand and protein files in Autodock and perform virtual screening. An advanced version of Raccoon called, ‘Raccoon2’ has been introduced by Forli et al., (2016) [1] as GUI to prepare and analyze Autodock and Autodock Vina virtual screenings. Continue reading “Raccoon2: A GUI facilitating virtual screenings with Autodock and Autodock Vina” »

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