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We are still working on this page. Catalogs and tools will be added and opened gradually until the end of August, the date of the first complete version of this web site. You can find more about the schedule in "what's next ?"
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Thrombin
Natural Substrates
Synthetic substrates
Natural inhibitors
Synthetic inhibitors
Other ligands
tPA
Natural Substrates
Synthetic substrates
Natural inhibitors
Synthetic inhibitors
Other ligands
 
 
 
 
 
 
 
 
AutoDock
Discover
Sphere
Valence
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Catalog Index

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Thrombin
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1
Natural Substrates
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2
Synthetic substrates
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3
Natural inhibitors
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4
Synthetic inhibitors
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5
Ions and Other ligands
  horiz_blue.gifTissue Plasminogen Activator
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Ligand Analyzer

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Docking(local use only of licensed softwares)
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1
Docking with AutoDock (menu: autodock)
Input: PDB accession number, target, coordinates of ligand atoms
Output: display of complexes, density map
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2
Docking with Discover (menu: discover )
Input: PDB accession number, target, coordinates of ligand
Output: display of complexes
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3
Fast docking in sphere world (menu: sphere)
Input: PDB accession number, target, coordinates of ligand
Output: density map
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Prediction of metal ion binding sites (local use only)
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Prediction of metal ion binding sites with Valence (Nayal & Di Cera)(menu: valence)
Input: PDB accession number, ion type
Output: Binding site list, 3D-display
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Go to the Washington University in St Louis
Go to the School of MedicineGo to the Department of Biochemistry and Molecular Biophysics


Thierry Rose, PhD and Enrico Di Cera, MD
Department of Biochemistry and Molecular Biophysics
Washington University School of Medicine
Saint Louis, MO, U.S.A.

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