• Media type: E-Article
  • Title: Frag’r’Us: knowledge-based sampling of protein backbone conformations for de novo structure-based protein design
  • Contributor: Bonet, Jaume; Segura, Joan; Planas-Iglesias, Joan; Oliva, Baldomero; Fernandez-Fuentes, Narcis
  • imprint: Oxford University Press (OUP), 2014
  • Published in: Bioinformatics
  • Language: English
  • DOI: 10.1093/bioinformatics/btu129
  • ISSN: 1367-4811; 1367-4803
  • Keywords: Computational Mathematics ; Computational Theory and Mathematics ; Computer Science Applications ; Molecular Biology ; Biochemistry ; Statistics and Probability
  • Origination:
  • Footnote:
  • Description: <jats:title>Abstract</jats:title> <jats:p>Motivation The remodeling of short fragment(s) of the protein backbone to accommodate new function(s), fine-tune binding specificities or change/create novel protein interactions is a common task in structure-based computational design. Alternative backbone conformations can be generated de novo or by redeploying existing fragments extracted from protein structures i.e. knowledge-based. We present Frag’r’Us, a web server designed to sample alternative protein backbone conformations in loop regions. The method relies on a database of super secondary structural motifs called s motifs. Thus, sampling of conformations reflects structurally feasible fragments compiled from existing protein structures.</jats:p> <jats:p>Availability and implementation Frag’r’Us has been implemented as web application and is available at http://www.bioinsilico.org/FRAGRUS .</jats:p> <jats:p>Contact  narcis.fernandez@gmail.com or baldo.oliva@upf.edu</jats:p> <jats:p>Supplementary information  Supplementary data are available at Bioinformatics online.</jats:p>
  • Access State: Open Access