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Supported Applications

AutoDock-GPU

  • Description

    a Cuda accelerated version of AutoDock4.2.6, AutoDock for GPUs and other accelerators.

  • Usage

    To list all executables provided by AutoDock-GPU, run: $ sbgrid-list autodock-gpu Copy to clipboard

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install autodock-gpu Copy to clipboard Available operating systems: Linux 64, OS X INTEL

  • Primary Citation*

    D. Santos-Martins, L. Solis-Vasquez, A. F. Tillack, M. F. Sanner, A. Koch, and S. Forli. 2021. Accelerating AutoDock4 with GPUs and Gradient-Based Local Search. Journal of chemical theory and computation. 17(2): 1060-1073.


    • *Full citation information available through

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  1.5.3 (101.4 MB)
    OS X INTEL:  1.5.3 (54.0 MB)

  • Other Versions

      Linux 64:

      1.3 (62.8 MB)

    • OS X INTEL:

  • Developers

    Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Tillack

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