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LigPrep
Docking
Glide
Prime QikProp
  1. Workflow
    Virtual Screening
    Docking Glide QikProp
    +1
    Structure-based Virtual Screening Workflow incorporating ligand preparation, property filtering, and successive docking using dif…
    schroedinger > Workflow_examples > Docking > Virtual screening > Virtual screening 1-2
    1
    schroedinger
  2. Workflow
    Validate Docking Parameters
    Docking Glide LigPrep
    +1
    Prepare and concatenate a set of co-crystallized, known active, and inactive compounds. Dock them with Glide SP and XP to compare…
    schroedinger > Workflow_examples > Docking > Validate parameters > Validate parameters 1-2
    0
    schroedinger
  3. Workflow
    Virtual Screening
    Docking Glide QikProp
    +1
    Structure-based Virtual Screening Workflow incorporating ligand preparation, property filtering, and successive docking using dif…
    schroedinger > Workflow_examples > Docking > Virtual screening > Virtual screening 1-3
    0
    schroedinger
  4. Workflow
    Virtual Screening
    Docking Glide QikProp
    +1
    Structure-based Virtual Screening Workflow incorporating ligand preparation, property filtering, and successive docking using dif…
    schroedinger > Workflow_examples > Docking > Virtual screening > Virtual screening 1
    0
    schroedinger
  5. Workflow
    Docking and Scoring
    Docking LigPrep Glide
    +1
    Prepare ligands with LigPrep and dock then with Glide. Inspect the poses, perform RRHO entropy calculation and post-processing wi…
    kshin > Public > Docking 1
    0
    kshin
  6. Workflow
    Validate Docking Parameters
    Docking Glide LigPrep
    +1
    Prepare and concatenate a set of co-crystallized, known active, and inactive compounds. Dock them with Glide SP and XP to compare…
    schroedinger > Workflow_examples > Docking > Validate parameters > Validate parameters 1
    0
    schroedinger
  7. Workflow
    Core constraint
    Docking Glide LigPrep
    Compounds are docked with a core constraint using the MCS with the reference ligand.
    schroedinger > Workflow_examples > Docking > Core constraint > Core constraint
    0
    schroedinger
  8. Workflow
    Docking and Scoring
    Docking LigPrep Glide
    +1
    Prepare ligands with LigPrep and dock then with Glide. Inspect the poses, perform RRHO entropy calculation and post-processing wi…
    schroedinger > Workflow_examples > Docking > Docking > Docking 1-2
    0
    schroedinger
  9. Workflow
    Validate Docking Parameters
    Docking Glide LigPrep
    +1
    Prepare and concatenate a set of co-crystallized, known active, and inactive compounds. Dock them with Glide SP and XP to compare…
    schroedinger > Workflow_examples > Docking > Validate parameters > Validate parameters 1-3
    0
    schroedinger
  10. Workflow
    Docking and Scoring
    Docking LigPrep Glide
    +1
    Prepare ligands with LigPrep and dock then with Glide. Inspect the poses, perform RRHO entropy calculation and post-processing wi…
    schroedinger > Workflow_examples > Docking > Docking > Docking 1-3
    0
    schroedinger
  11. Workflow
    Docking and Scoring
    Docking LigPrep Glide
    +1
    Prepare ligands with LigPrep and dock then with Glide. Inspect the poses, perform RRHO entropy calculation and post-processing wi…
    schroedinger > Workflow_examples > Docking > Docking > Docking 1
    0
    schroedinger