|
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) |