2. Binding Affinity Prediction of Protein-Ligand Server(BAPPL)
Computes the binding free energy of a protein-ligand complex.
8. Non Redundant Database of Small Molecules
Virtual high throughput screening of small molecules and their optimization into lead- like candidates.
10. Molecular Volume
Calculates the volume of a molecule
12. Hydrogen Addition to Nucleic Acid
Adds the hydrogen coordinates to the X-ray crystal structures of Nucleic acid
14. DNA Ligand Docking
Rigid Docking predicts the binding mode of the ligand in the minor groove of DNA.
16. 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.
17. Transferrable Partial Atomic Charge Model - up to 4 bonds (TPACM4)
This tool is used for assignment of partial atomic charge of small molecules.