AutoDock

AutoDock is a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. It is associated with Scripps Research and includes multiple docking engines and supporting tools developed over two generations of software.

About AutoDock

AutoDock is a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. It is associated with Scripps Research and includes multiple docking engines and supporting tools developed over two generations of software.

Products

  • AutoDock4

    Drug Discovery & Biotech

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    Legacy docking engine consisting of two main programs: autodock, which performs docking of the ligand to a set of grids describing the target protein, and autogrid, which pre-ca...

  • AutoDock Vina

    Drug Discovery & Biotech

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    Current docking engine version v1.2.x (2021–present).

  • AutoDock-GPU

    Drug Discovery & Biotech

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    Current docking engine (2021–present) with re-implemented improvements for protein-ligand docking methods and protocols.

  • AutoDockTools (ADT)

    Drug Discovery & Biotech

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    Graphical user interface (GUI) for setting up and analyzing dockings.

  • Raccoon 2

    Drug Discovery & Biotech

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    AutoDock is a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

  • Raccoon

    Drug Discovery & Biotech

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    AutoDock is a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

  • AutoLigand

    Drug Discovery & Biotech

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    AutoDock is a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

  • AutoSite

    Drug Discovery & Biotech

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    AutoDock is a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

  • Covalent Docking

    Drug Discovery & Biotech

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    AutoDock is a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

  • Hydrated Docking

    Drug Discovery & Biotech

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    AutoDock is a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

  • AutoDock Zn

    Drug Discovery & Biotech

    View product

    AutoDock is a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

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