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 Resjournal_title
Nucleic acids researchauthors
Jayaram B,Bhushan K,Shenoy SR,Narang P,Bose S,Agrawal P,Sahu D,Pandey Vdoi
10.1093/nar/gkl789subject
Has Abstractpub_date
2006-01-01 00:00:00pages
6195-204issue
21eissn
0305-1048issn
1362-4962pii
gkl789journal_volume
34pub_type
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