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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