Tutorials

Contents:

• Dock Ten Million Molecules with Gigadock Warp and Analysis with Freeform Consensus
  • Create a Tutorial Project and Working Directory
  • Prepare Design Unit / Receptor
  • View Prepared Design Unit / Receptor
  • 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 Gigadock Floe
  • Create a Tutorial Project and Working Directory
  • Prepare Design Unit / Receptor
  • View Prepared Design Unit / Receptor
  • Prepare One Million Input Molecules
  • Dock Molecules to Site
• Cluster Hit List Poses from Gigadock
• View Results
  • Setup Basic View in 3D Window
  • View Pose Cluster Heads Only
  • View Top 5 Scoring of Each Cluster Only
  • View One Pose Cluster Only
• FastROCS Plus with Freeform Analysis
  • Create a Tutorial Project and Working Directory
  • 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
  • Create a Tutorial Project and Working Directory
  • Prepare Design Unit / Receptor
  • View Prepared Design Unit / Receptor
  • Run the FastROCS Plus Floe
  • View Consensus Result
• Prepare Vendor Database for Giga Docking and FastROCS
  • Create a Tutorial Project and Working Directory
  • Import Mcule Database into Orion
  • Create GigaDocking and FastROCS collections
  • View Collection Properties
  • View of Random Sample of the Collection