Supercomputing Facility For Bioinformatics and Computational Biology, IIT Delhi

A Complete Drug Designing Software Suite


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                      Ligand

Protein/DNA/Metalloproteinase

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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