Rosetta de novo structure prediction: extracting function from de novo structure predictions.

Recent progress in de novo structure prediction methods has resulted in methods with increased accuracy that are applicable to greater numbers of proteins. When combined intelligently with other structure prediction methods, de novo structure prediction can contribute to systems biology in several ways. While still highly experimental such applications include 1) structural annotation on a genome wide scale and 2) synergy with experimental approaches to structural genomics such as the derivation of distance constraints from mass spectroscopy. I will describe the underlying methodologies common to current de novo prediction methods, focusing on core concepts rather than specific implementations, groups or methods. Possible applications of de novo structure prediction will also be reviewed. For more information on our latest results on 80 complete genomes, including many model organisms being actively studied at NYU click here. This work is being carried out in collaboration with David Baker and IBM WCGrid.

WCGrid Message Board Posts by Dr. Bonneau

Description of HPF Project

Results from the Human Proteome Folding Project can be found at the Public Data Repository associated with the Yeast Resource Center.

Reference: Malmstrom L, Riffle M, Strauss CEM, Chivian D, Davis TN, et al. (2007) Superfamily assignments for the yeast proteome through integration of structure prediction with the gene ontology. PLoS Biol 5(4): e76. doi:10.1371/journal.pbio.0050076