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Docking
LigPrep
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
  2. 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
  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
  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
  5. 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
  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
  7. 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
  8. 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
  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 > Internal development > 22-2 > TEST > Docking > Validate parameters > Validate parameters 1-3
    0
  10. 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 > Internal development > 22-2 > TEST > Docking > Validate parameters > Validate parameters 1
    0
  11. Workflow
    Virtual Screening
    Docking Glide QikProp
    +1
    Structure-based Virtual Screening Workflow incorporating ligand preparation, property filtering, and successive docking using dif…
    schroedinger > Internal development > 22-2 > TEST > Docking > Virtual screening > Virtual screening 1
    0
  12. Workflow
    Virtual Screening
    Docking Glide QikProp
    +1
    Structure-based Virtual Screening Workflow incorporating ligand preparation, property filtering, and successive docking using dif…
    schroedinger > Internal development > 22-2 > TEST > Docking > Virtual screening > Virtual screening 1-2
    0
  13. Workflow
    Virtual Screening
    Docking Glide QikProp
    +1
    Structure-based Virtual Screening Workflow incorporating ligand preparation, property filtering, and successive docking using dif…
    schroedinger > Internal development > 22-2 > TEST > Docking > Virtual screening > Virtual screening 1-3
    0
  14. 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 > Internal development > 22-2 > TEST > Docking > Docking > Docking 1-2
    0
  15. Workflow
    Core constraint
    Docking Glide LigPrep
    Compounds are docked with a core constraint using the MCS with the reference ligand.
    schroedinger > Internal development > 22-2 > TEST > Docking > Core constraint > Core constraint
    0
  16. 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 > Internal development > 22-2 > TEST > Docking > Docking > Docking 1
    0
  17. 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
  18. 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
  19. 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 > Internal development > 22-2 > TEST > Docking > Docking > Docking 1-3
    0
  20. 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 > Internal development > 22-2 > TEST > Docking > Validate parameters > Validate parameters 1-2
    0