Supercomputing Facility for Bioinformatics &
Computational Biology, IIT Delhi
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Protein Structure Prediction Software and Tools

 

1. Bhageerath

An automated energy based protein tertiary structure prediction web server. Starting with sequence and secondary structure information, the web server predicts 5 native-like candidate structures for the protein.

2. Bhageerath H

A Homology ab-intio Hybrid Web server for Protein Tertiary Structure Prediction. Starting with sequence, the web server predicts 5 native-like candidate structures for the protein.

3. Protein Structure Generation

A utility to build a three dimensional structure based on the knowledge of protein sequence and secondary structure information.
4. Persistence Length
A biophysical filter, which calculates the maximum length of the polypeptide chain in one direction. It is one of the filters employed in the Bhageerath web server for rejection of the non-native like structures from the initial ensemble of trial structures
5. Radius of Gyration
A biophysical filter, which is related to the diameter of the protein structure. It is also currently a part of the Bhageerath web server and is utilized for rejection of non-native like structures.

6. Hydrophobicity

It comes under the category of biophysical filters, whereby it can help in accepting or rejecting a candidate structure depending on the ratio of accessible surface areas of the hydrophobic and hydrophilic residues.

7. Packing Fraction

It comes under the category of biophysical filters, whereby it can help to evaluate the value of packing fraction for a given protein and to find out whether the value is in acceptable limits for globular protein or not.
8. ProRegIn
Protein Regularity Index
9. Protein structure optimizer
Energy minimizer for proteins
10. ProSEE
Scoring Function for Protein Structure Evaluation Calculates intramolecular energy of a protein in component-wise break up.
11. Superimpose
Fits two molecules and calculates the RMSD between them.
12. Protein Angle Descriptor
Calculates the angles & dihedral in the main chain of the protein
13. BGPred(Beta Gamma Turn Predictor)
BG Pred web server predicts beta and gamma turns.
14. PROSECSC
PROTEIN SECONDARY STRUCTURE PREDICTION.