2. Binding Affinity Prediction of Protein-Ligand Server(BAPPL)
Computes the binding free energy of a protein-ligand complex.
6. Active Site Prediction
Active Site Prediction of Protein server computes the cavities in a given protein.
8. Non Redundant Database of Small Molecules
Virtual high throughput screening of small molecules and their optimization into lead- like candidates.
10. Molecular Volume Calculator
Calculates the volume of a molecule
12. DNA Ligand Docking
Rigid Docking predicts the binding mode of the ligand in the minor groove of DNA.
14. 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.
15. Transferrable Partial Atomic Charge Model - up to 4 bonds (TPACM4)
This tool is used for assignment of partial atomic charge of small molecules.
16. BAITOC: Bioactivity information to organic chemists
Ligand based, preliminary target screening protocol. It Predicts target proteins for small non metallo-organic molecule.
17. SOM Prediction