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Real World
Glide Canvas SiteMap Binding Site Database Desalt Descriptors Filtering Grid Generation
  1. Workflow
    Sitemap and Glide Grid Generation
    Real World SiteMap Glide
    +4
    Prepare a set of PDB structures and identify possible binding sites with Sitemap. Generate receptor grids with Glide for each sit…
    schroedinger > Workflow_examples > Real world > Sitemap and docking > Sitemap and docking
    0
    schroedinger
  2. Workflow
    Vendor database preparation
    Real World Canvas Database
    +4
    Label compounds from a single vendor. Prepare and filter compounds by various criteria. Based on: Clark, D.E.; Higgs, C.; Wren, S…
    schroedinger > Workflow_examples > Real world > Database preparation > Database preparation 1-2
    0
    schroedinger
  3. Workflow
    Binding site shape clustering
    Real World SiteMap Canvas
    +5
    Analyze a set of PDB structures (or a molecular dynamics trajectory) with SiteMap to characterize frames for possible binding sit…
    schroedinger > Workflow_examples > Real world > Binding site shape clustering > Binding site shape clustering
    0
    schroedinger
  4. Workflow
    Protein model building on an edited alignment
    Real World Prime Glide
    +6
    Use the Multiple Sequence Viewer to edit an alignment and a corresponding homology model is built. A Glide grid is generated and …
    schroedinger > Workflow_examples > Protein > Model building on a template > Model building on a template 1
    0
    schroedinger
  5. Workflow
    Protein model building on an edited alignment
    Real World Prime Glide
    +6
    Use the Multiple Sequence Viewer to edit an alignment and a corresponding homology model is built. A Glide grid is generated and …
    schroedinger > Workflow_examples > Protein > Model building on a template > Model building on a template 1-2
    0
    schroedinger
  6. Workflow
    Vendor database preparation
    Real World Canvas Database
    +4
    Label compounds from a single vendor. Prepare and filter compounds by various criteria. Based on: Clark, D.E.; Higgs, C.; Wren, S…
    schroedinger > Workflow_examples > Real world > Database preparation > Database preparation 1
    0
    schroedinger
  7. Workflow
    Cocrystallized Ligand Redocking
    Real World Glide LigPrep
    +1
    Extract ligands from a set of PDB protein-ligand complexes. The complexes are then prepared and a Glide grid is generated. Finall…
    schroedinger > Workflow_examples > Real world > Cocrystallized ligand redocking > Cocrystallized ligand redocking 1-2
    0
    schroedinger
  8. Workflow
    Vendor database preparation
    Real World Canvas Database
    +4
    Label compounds from a single vendor. Prepare and filter compounds by various criteria. Based on: Clark, D.E.; Higgs, C.; Wren, S…
    schroedinger > Workflow_examples > Real world > Database preparation > Database preparation 1-3
    0
    schroedinger