AutoDock

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Description

AutoDock website  

AutoDock 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.

Required Modules

Serial

  • AutoDock

System Variables

  • HPC_AUTODOCK_DIR - installation directory
  • HPC_AUTODOCK_BIN - executable directory




Citation

If you publish research that uses AutoDock you have to cite it as follows:

[1]