Drug Design Softwares and Tools                        [Help Hotline]
1. Sanjeevini
   A complete drug design software.

2. Binding Affinity Prediction of Protein-Ligand Server(BAPPL)
    Computes the binding free energy of a protein-ligand complex.

3. Binding Affinity Prediction of Protein-Ligand complex containing Zinc Server  (BAPPL-Z)
Computes the binding free energy of a metalloprotein-ligand complex containing zinc.

4. Drug-DNA Interaction Energy (PreDDICTA)
Calculates the Drug-DNA interaction energy.

5. ParDOCK - Automated Server for Rigid Docking
Predicts the binding mode of the ligand in receptor target site.

6. ParDOCK - Automated Server for Rigid Docking
Predicts the binding mode of the ligand in receptor which contains Zinc ion in target site.

7. Active Site Prediction
Active Site Prediction of Protein server computes the cavities in a given protein.


8. Automated Version Of Active Site Prediction (AADS)
Predicts 10 binding sites in a protein target and docks the uploaded ligand molecule  at all 10 sites     predicted in an automated mode.

9. Non Redundant Database of Small Molecules
Virtual high throughput screening of small molecules and their optimization into lead-   like candidates.


10. Lipinski Filters
    Checks whether a compound satisfies the Lipinski's rules for drug like compounds.

11. Molecular Volume Calculator
   Calculates the volume of a molecule


12. DNA Sequence to Structure
    Generates double helical secondary structure of DNA using conformational parameters taken from     experimental fiber-diffraction studies.

13. DNA Ligand Docking
      Rigid Docking predicts the binding mode of the ligand in the minor groove of DNA.


14. Wiener Index Calculator
    This tool is useful for calculating Wiener index.

15. RASPD for Preliminary Screening of Drugs
    This tool is useful for preliminary screening of ligand molecules based on physico-chemical properties
    of the ligand and the active site of the protein. This will predict binding energy of drug/target at a
    preliminary stage.


16. Transferrable Partial Atomic Charge Model - up to 4 bonds (TPACM4)
    This tool is used for assignment of partial atomic charge of small molecules.

17. BAITOC: Bioactivity information to organic chemists
   Ligand based, preliminary target screening protocol. It Predicts target proteins for small non metallo
   organic molecule.

18. SOM Prediction
    Predict the potential metabolic sites of a molecule and its metabolic products

19. Intercalate
    Methodology for prediction of ligand binding pose and energetics of DNA intercalation

20. Multi Target Ligand Design (MTLD)
      Predicts compounds which can bind to two different proteins with good binding affinity
      (Polypharmacology).

21. Sanjevini Android application
      Sanjeevini application for smart phones for Computer Aided Drug Design (CADD)

     
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