FILTREST3D: discrimination of structural models using restraints from experimental data

Bioinformatics. 2010 Dec 1;26(23):2986-7. doi: 10.1093/bioinformatics/btq582. Epub 2010 Oct 17.

Abstract

Summary: Automatic methods for macromolecular structure prediction (fold recognition, de novo folding and docking programs) produce large sets of alternative models. These large model sets often include many native-like structures, which are often scored as false positives. Such native-like models can be more easily identified based on data from experimental analyses used as structural restraints (e.g. identification of nearby residues by cross-linking, chemical modification, site-directed mutagenesis, deuterium exchange coupled with mass spectrometry, etc.). We present a simple server for scoring and ranking of models according to their agreement with user-defined restraints.

Availability: FILTREST3D is freely available for users as a web server and standalone software at: http://filtrest3d.genesilico.pl/

Contact: iamb@genesilico.pl

Supplementary information: Supplementary data are available at Bioinformatics online.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computational Biology / methods
  • Models, Molecular*
  • Nucleic Acid Conformation*
  • Protein Conformation*
  • Software*