Supercomputing Facility For Bioinformatics and Computational Biology, IIT Delhi

A Complete Drug Designing Software Suite


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                      Ligand

Protein/DNA


Search Molecule from the Database

  

or

Upload the Drug Molecule

  

 

 

Upload the Target Protein


 

 

 

 

Molecular Database is the host to a plethora of small molecules

 





Evaluate the uploaded molecule through the Lipinski's Rule of Five



Single Binding Site Docking

Remove the existing drug molecule and examine the active site for docking.

or

Multiple Binding Site Docking

Predict all possible active sites, and docking on top ten sites.

 

 

Drug Molecule ready for Docking

 

Target Protein ready for Docking

Docking & Scoring

Protein Ligand Complex


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