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Binding Energy Funnel Generation Docking Algorithm

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Input Fields

  • Receptor Molecule: A file containing the structure of the receptor in PDB format. Each residue of the receptor must have a unique number and chain. The default is the whole complex(All). For specific chains please write chains Id with commas in between (A,B...).

  • Ligand Molecule: A file containing the structure of the ligand in PDB format. Each residue of the receptor must have a unique number and chain. sThe default is the whole complex(All). For specific chains please write chains Id with commas in between (A,B...).

    We recommend defining the smaller protein as the ligand, for better rigid-body minimization
  • e-mail address: An e-mail address for receiving the results.

    Output

  • The results will be sent via email with a link to a share and data details.