Bhageerath: an energy based web enabled computer software suite for limiting the search space of tertiary structures of small globular proteins.

Abstract:

:We describe here an energy based computer software suite for narrowing down the search space of tertiary structures of small globular proteins. The protocol comprises eight different computational modules that form an automated pipeline. It combines physics based potentials with biophysical filters to arrive at 10 plausible candidate structures starting from sequence and secondary structure information. The methodology has been validated here on 50 small globular proteins consisting of 2-3 helices and strands with known tertiary structures. For each of these proteins, a structure within 3-6 A RMSD (root mean square deviation) of the native has been obtained in the 10 lowest energy structures. The protocol has been web enabled and is accessible at http://www.scfbio-iitd.res.in/bhageerath.

journal_name

Nucleic Acids Res

journal_title

Nucleic acids research

authors

Jayaram B,Bhushan K,Shenoy SR,Narang P,Bose S,Agrawal P,Sahu D,Pandey V

doi

10.1093/nar/gkl789

subject

Has Abstract

pub_date

2006-01-01 00:00:00

pages

6195-204

issue

21

eissn

0305-1048

issn

1362-4962

pii

gkl789

journal_volume

34

pub_type

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