IIT Delhi Drug Design

I want to get information about the Indian Institute of Technology Delhi Drug Design Softwares and Tools. So here can you provide me information about it?

[Shaleen]

As per your demand here I am providing you information about the Indian Institute of Technology Delhi Drug Design Softwares and Tools.

Drug Design Softwares and Tools
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. Active Site Prediction
Active Site Prediction of Protein server computes the cavities in a given protein.

7. 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.

8. Non Redundant Database of Small Molecules
Virtual high throughput screening of small molecules and their optimization into lead- like candidates.

9. Lipinski Filters
Checks whether a drug satisfies the 5 Lipinski rules.

10. Molecular Volume Calculator
Calculates the volume of a molecule

11. DNA Sequence to Structure
Generates double helical secondary structure of DNA using conformational parameters taken from experimental fiber-diffraction studies.

12. DNA Ligand Docking
Rigid Docking predicts the binding mode of the ligand in the minor groove of DNA.

13. Wiener Index Calculator
This tool is useful for calculating Wiener index.

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

Address:
Indian Institute of Technology Delhi  
Research in New Delhi, India
Hauz Khas, New Delhi, Delhi 110016
Phone: 011 2659 7135