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13.5 RIDGE - Rapid Docking GPU Engine		Next
RIDGE (Rapid Docking GPU Engine) is an extremely fast and accurate structure-based virtual ligand screening method. Read more here.

To run RIDGE:

  • Setup a docking project.
  • Go to Docking/Run RIDGE HTD VLS
  • Select the conformer database in .molt format you wish to screen. You can download pre-prepared databases here. or prepare your own molt database using the options in Chemistry/Generate Conformers.
  • Select a RTCNN score cutoff - it is reccommended to undertake a test screen to see what score distributions you will obtain for your receptor.
  • Clash weight penalty - recommended to use the default value of 20.
  • You can choose to also evaluate the physics-based score.

There are some Advanced options:

  • Clash van der Waals scale (default = 0.82)
  • Select a random subset to screen and enter the size of the subset.
  • Define the GPU ID number.

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Virtual Ligand Screening

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