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smina

  • Description

    a fork of AutoDock Vina that is customized to better support scoring function development and high-performance energy minimization. smina is maintained by David Koes at the University of Pittsburgh and is not directly affiliated with the AutoDock project.

  • Usage

    To list all executables provided by smina, run: $ sbgrid-list smina Copy to clipboard

  • Installation

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

  • Primary Citation*

    D. R. Koes, M. P. Baumgartner, and C. J. Camacho. 2013. Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise. Journal of Chemical Information and Modeling. 53(8): 1893-1904.


    • *Full citation information available through

  • Keywords

    Drug Discovery

  • Default Versions

    Linux 64:  20170429 (11.0 MB)
    OS X INTEL:  20170429 (15.5 MB)

  • Developers

    David Ryan Koes

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