Swiss Dock is a Novel Web Technology That Simplifies Molecular Docking

Abstract

Imran Hossain

Molecular docking techniques are essential for developing new medications by predicting how a ligand will bind, its affinity, and its position in the binding site of the target receptor. It has been demonstrated to be a rapid, uncomplicated, and economical method in both business and research settings. Swiss Dock, introduced in 2011 as part of the Swiss Drug Design project, provides a free internet-based tool for small-molecule docking that includes automated ligand and target setup. In this article, we present the latest version of Swiss Dock, in which EADock DSS is replaced by two newer docking software programs -Attracting Cavities and Auto Dock Vina. Auto Dock Vina provides faster docking predictions, while Attracting Cavities offer more accurate results. Ligands can be imported in using different methods, such as files, SMILES notation, or molecular sketches. Targets can either be imported in as PDB files or recognized based on their PDB ID. Users can utilize advanced search features to automatically access popular databases for both ligands and targets. The web interface has been completely redesigned to facilitate interactive submission and analysis of docking results. Swiss Dock provides a choice between command-line docking and covalent ligand docking, both of which include Attracting Cavities. Visit www.swissdock. ch for free access to Swiss Dock.

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