Pipeline Pilot component
MED-SuMo is a Pipeline PilotTM component
Drug Design features of the MED-SuMo client/server aplication are integrated into Pipeline PilotTM
Input
One or more protein 3D structures to be studied. Called thereafter “query”
Parameters
Define the query: the whole surface or binding sites around the ligands complexed with the query
Choose the database (Sites or Fragments or Full surface)
Secured access to the server through login and password
Action
Superpose the PDB structures on the query according to the binding site surface similarities
The ligands or fragments complexed with those structures are therefore aligned in 3D in the “query” active site
The ligands or fragments complexed with those structures are therefore aligned in 3D in the “query” active site
Retrieve the best results from the server and display them automatically as an html file (Fig.1)
Fig.1: MED-SuMo result table (HTML table) opens automatically when the MED-SuMo server finishes the job
Output
Pass port : ligands or fragments aligned in the 3D “query” active site
The pass port can be plugged to the Pipeline Pilot molecular viewer
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