Supercomputing Facility for Bioinformatics &
Computational Biology, IIT Delhi
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Bioinformatics Software and Tools
1. Gene Predictor(ChemGenome 2.0)
    Whole Genome Analysis
2. Bhageerath
    Predicts native-like structures for small globular proteins 
3. Sanjeevini
    A complete drug design software. 
4. Binding Affinity Prediction of Protein-Ligand Server(BAPPL)
    Computes the binding free energy of a protein-ligand complex.
5. Binding Affinity Prediction of Protein-Ligand complex containing Zinc Server
    (BAPPL-Z)
    Computes the binding free energy of a metalloprotein-ligand complex containing     zinc.
6. Drug-DNA Interaction Energy (PreDDICTA)
    Calculates the Drug-DNA interaction energy.
7. ParDOCK - Automated Server for Rigid Docking
    Predicts the binding mode of the ligand in receptor target site.
8. Active Site Prediction
9. DnaDOCK - Dna Ligand Docking
    All-atom energy based Monte Carlo DNA ligand docking
10. Non Redundant Database of Small Molecules
      Virtual high throughput screening of small molecules and their optimization into       lead like candidates.
11. Lipinski Filters
     Checks whether a drug satisfies the 5 Lipinski rules.
12. DNA Sequence to Structure
     Generates double helical secondary structure of DNA using conformational      parameters taken from experimental fiber-diffraction studies.
13. Hydrogen Addition to Nucleic Acid
      Adds the hydrogen coordinates to the X-ray crystal structures of Nucleic acids
14. Hydrogen Addition to Protein
       Adds the hydrogen coordinates to the X-ray crystal structures of Proteins.

15. Gene Evaluator(ChemGenome 1.1)
    Characterizes a DNA sequence as gene or nongene

16. Protein Structure Generation

    Structure Generation from given dihedrals
17. Persistence Length
    Filters for Globular Protein Evaluation
18. Radius of Gyration
    Filters for Globular Protein Evaluation

19. Hydrophobicity

    Filters for Globular Protein Evaluation

20. Packing Fraction

    Filters for Globular Protein Evaluation
21. ProRegIn
    Protein Regularity Index
22. Protein structure optimizer
    Energy minimizer for proteins
23. ProSEE
    Scoring Function for Protein Structure Evaluation Calculates intramolecular energy     of a protein in component-wise break up.
24. Superimpose
    Fits two molecules and calculates the RMSD between them.
25. Protein Angle Descriptor
    Calculates the angles & dihedral in the main chain of the protein

26. Wiener Index Calculator

    This tool is useful for calculating Wiener index.

27. Modified Wiener Index for Preliminary Screening of Drugs

    This tool is useful for preliminary screening of drug molecules based on Wiener       index calculation. This will predict binding energy of drug/target at a preliminary      stage.
28. BGPred(Beta Gamma Turn Predictor)
    BG Pred web server predicts beta and gamma turns.
29. Volume Calculator
     Calculates the volume of a molecule

30. Melting Temperature Predictor

    It predicts the melting temperature of short DNA sequences (upto 50 base pairs)     at a user defined salt within the specified range.

31. Transferrable Partial Atomic Charge Model - up to 4 bonds (TPACM4)
    This tool is used for assignment of partial atomic charge of small molecules.