title: Structure prediction for CASP7 targets using extensive all-atom refinement with Rosetta@home.
abstract: We describe predictions made using the Rosetta structure prediction methodology for both template-based modeling and free modeling categories in the Seventh Critical Assessment of Techniques for Protein Structure Prediction. For the first time, aggressive sampling and all-atom refinement could be carried out for the majority of targets, an advance enabled by the Rosetta@home distributed computing network. Template-based modeling predictions using an iterative refinement algorithm improved over the best existing templates for the majority of proteins with less than 200 residues. Free modeling methods gave near-atomic accuracy predictions for several targets under 100 residues from all secondary structure classes. These results indicate that refinement with an all-atom energy function, although computationally expensive, is a powerful method for obtaining accurate structure predictions.
authors: Department of Biochemistry, University of Washington, Seattle, Washington 98195, USA.
authors: Rhiju
authors: R
authors: Das
authors: Bin
authors: B
authors: Qian
authors: Srivatsan
authors: S
authors: Raman
authors: Robert
authors: R
authors: Vernon
authors: James
authors: J
authors: Thompson
authors: Philip
authors: P
authors: Bradley
authors: Sagar
authors: S
authors: Khare
authors: Michael D
authors: MD
authors: Tyka
authors: Divya
authors: D
authors: Bhat
authors: Dylan
authors: D
authors: Chivian
authors: David E
authors: DE
authors: Kim
authors: William H
authors: WH
authors: Sheffler
authors: Lars
authors: L
authors: Malmström
authors: Andrew M
authors: AM
authors: Wollacott
authors: Chu
authors: C
authors: Wang
authors: Ingemar
authors: I
authors: Andre
authors: David
authors: D
authors: Baker
mesh_terms: D000465:Algorithms; D019295:Computational Biology / Q000379:methods*; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry; D012984:Software; D013816:Thermodynamics
chemical_list: D011506:Proteins