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AutoDock 4.2

AutoDock is the automated molecular docking software package



AutoDock 4.2 facilities

Vendor`s Web
The Scripps Research Institute webshot
OSWindows 2000, Windows XP, Windows Vista, Windows 7, Mac OS, Linux
Limitationsnot specified
Actualizedmore than year ago
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AutoDock manufacturer description

AutoDock 4.2 is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
AutoDock Cad & 3d modeling actually consists of two main programs: AutoDock performs the docking of the ligand to a set of grids describing the target protein; AutoGrid pre-calculates these grids.
In addition to using them for docking, the atomic affinity grids can be visualised. This can help, for example, to guide organic synthetic chemists design better binders.
We have also developed a graphical user interface called AutoDockTools, or ADT for short, which amongst other things helps to set up which bonds will treated as rotatable in the ligand and to analyze dockings.
AutoDock download has applications in:

  • X-ray crystallography;

  • structure-based drug design;

  • lead optimization;

  • virtual screening (HTS);

  • combinatorial library design;

  • protein-protein docking;

  • chemical mechanism studies.

free download AutoDock 4.2QUICK DOWNLOAD
Free download AutoDock 4.2
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AutoDock video tutorials

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AutoDock categories

AutoDock, virtual screening, protein-protein docking, AutoGrid

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