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Contents
 
Introduction
Help Videos
Reference Guide
Getting Started
Protein Structure
Molecular Graphics
Slides & ActiveICM
Sequences & Alignments
Protein Modeling
Cheminformatics
Learn and Predict
Docking
Virtual Screening
 Virtual Ligand Screening
 Fragment Screening
 Ligand-Based
 RIDE
 RIDGE - Rapid Docking GPU Engine
Molecular Dynamics
Run MD
MolScreen
3D Ligand Editor
Tables and Plots
Local Databases
ICM-Scarab
KNIME
Tutorials
FAQs
 
Index
PrevICM User's Guide
13.5 RIDGE - Rapid Docking GPU Engine
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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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