Compare Induced-Fit Posing (IFP) Results to Target Receptor [IFP] [IFD] [Induced-Fit Docking]

Description

• Tutorials and Further Reading:

  • Compare Induced-Fit Posing Results to Target Receptor (to avoid leaving this page, right-click and open link in new tab)

• Purpose:

  • Performs the comparison of the IFP results with the target receptor with the known bound ligand and generate a Floe report.

• Expertise Level:

  • Intermediate/Advanced

• Compute Resource:

  • Low

• Keywords:

  • IFP, Induced-Fit Posing, Induced Fit Posing, IFD, Induced-Fit Docking, Induced Fit Docking

Promoted Parameters

Title in user interface (promoted name)

• IFP Output Dataset (ifp_in) type: data_source: IFP Output Dataset
• Target Receptor Input Dataset for comparison (ref_in) type: data_source: Target receptor with the known bound ligand for comparison to IFP outputs. For later visual inspection, it is recommended to align the reference receptor and the target receptor during receptor preparation.

Titles of required parameters (promoted names)

• Failed Dataset (data_out) type: dataset_out: Output dataset of failed calculations.

  Default: Failed Output for Compare Induced-Fit Posing (IFP) Results to Target Receptor [IFP] [IFD] [Induced-Fit Docking]
• Output Dataset (data_out) type: dataset_out: Output dataset of successful calculations

  Default: Output for Compare Induced-Fit Posing (IFP) Results to Target Receptor [IFP] [IFD] [Induced-Fit Docking]

Optional parameters (promoted names)

• IFP Output Dataset (data_in) type: data_source: IFP Output Dataset
• Target Receptor Input Dataset for comparison (data_in) type: data_source: Target receptor with the known bound ligand for comparison to IFP outputs. For later visual inspection, it is recommended to align the reference receptor and the target receptor during receptor preparation.