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.