How-to Guides

Contents:

• Run Giga Docking on Billions of Molecules
  • Context
  • Procedure
• Estimate the cost of a Giga Docking Run
  • Context
  • Procedure
• Determine if Giga Docking Will Give Good Results with a Given Receptor
  • Context
  • Procedure
• Edit a Receptor
  • Context
  • Procedure
• Generate a Giga Docking Hit List Datast of More Than 10K Molecule
  • Context
  • Procedure
• Prepare Molecules in a CSV File for GigaDocking and FastROCS
  • Context
  • Procedure 1 : Identify the title column
  • Procedure 2 : Prepare the molecules without titles
• Restart a Giga Docking Job That Stopped Due to Cost
  • Context
  • Procedure
• Get Access To Full Vendor Giga Docking Collections Prepared by OpenEye
  • Context
  • Procedure