Improved version of Autodock Vina. Currently no other docking program has the following features:

    • Molecular movie output. Example .


  • Parts of the ligand can be kept fixed
    • Useful for compound optimization
  • Tunable scoring function weights for specific protein-ligand atoms
  • Detailed output
    • Atomic contributions for interaction energies
    • 2D protein-ligand interactions (through poseview)



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