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VinaLC

  • Description

    a parallel molecular docking program that is a modified version of the very popular PC-based molecular docking program AutoDock Vina. VinaLC is a message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines.

  • Usage

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

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install vinalc Copy to clipboard Available operating systems: Linux 64

  • Primary Citation*

    X. Zhang, S. E. Wong, and F. C. Lightstone. 2013. Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines. Journal of Computational Chemistry. 34(11): 915-927.


    • *Full citation information available through

  • Citation Note

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