Tutorials

Contents:

• Preliminary Setup Tutorial
  • Create a Tutorial Project and Working Directory
  • Prepare Design Unit / Receptor
  • View Prepared Design Unit / Receptor
• Dock Ten Million Molecules with Gigadock Warp and Analysis with FreeForm Consensus
  • Dock Molecules to Site
  • Compute FreeForm Delta G of the Hit List Molecules
  • Compute Consensus of Docking Score and FreeForm Delta G
  • View Results
• Dock One Million Molecules with the Gigadock Floe
  • Prepare One Million Input Molecules
  • Dock Molecules to Site
• Cluster Hit List Poses from Gigadock
  • View Results
• FastROCS Plus with FreeForm Analysis
  • Create a Dataset with Revlimid
  • Run the FastROCS Plus Floe
  • Compute FreeForm Delta G of the Hit List Molecules
  • View Hit List Results
• FastROCS Plus with Docking and Consensus Score of Top Molecules
  • Run the FastROCS Plus Floe
  • View Consensus Result
• Prepare Vendor Database for Gigadock and FastROCS
  • Import Mcule Database into Orion
  • Create Gigadock and FastROCS Collections
  • View Collection Properties
  • View of a Random Sample of the Collection