A complete drug design software.
2. Dhanvantari
A comprehensive Gene to Drug Software Suite.
3. Binding Affinity Prediction of Protein-Ligand Server(BAPPL)
Computes the binding free
energy of a protein-ligand complex.
An improved methodology for predicting the binding affinities of protein-ligand and metalloprotein-ligand
complexes.
Computes the binding free energy of a metalloprotein-ligand complex containing zinc.
Predicts the binding mode of the ligand in receptor target site.
Predicts the binding mode of the ligand in receptor which contains Zinc ion in target site.
9. Active Site Prediction
Active Site Prediction of Protein server computes the cavities in a given protein.
Predicts 10 binding sites in a protein target and docks the uploaded ligand molecule at all 10 sites predicted in an automated mode.
11. Non Redundant Database of Small Molecules
Virtual high throughput screening of small molecules and their optimization into lead- like candidates.
Checks whether a compound satisfies the Lipinski's rules for drug like compounds.
13. Molecular Volume Calculator
Calculates the volume of a molecule
Generates double helical secondary structure of DNA using conformational parameters taken from experimental fiber-diffraction studies.
15. DNA Ligand Docking
Rigid Docking predicts the binding mode of the ligand in the minor groove of DNA.
This tool is useful for calculating Wiener index.
17. 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.
18. Transferrable Partial Atomic Charge Model - up to 4 bonds (TPACM4)
This tool is used for assignment of partial atomic charge of small molecules.
19. BAITOC: Bioactivity information to organic chemists
Ligand based, preliminary target screening protocol. It Predicts target proteins for small non metallo
organic molecule.
20. SOM Prediction
Predict the potential metabolic sites of a molecule and its metabolic products
21. Intercalate
Methodology for prediction of ligand binding pose and energetics of DNA intercalation
22. Multi Target Ligand Design (MTLD)
Predicts compounds which can bind to two different proteins with good binding affinity
(Polypharmacology).
23. Sanjevini Android application
Sanjeevini application for smart phones for Computer Aided Drug Design (CADD)