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)