Structure prediction for CASP7 targets using extensive all-atom

msra(2007)

引用 19|浏览52
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摘要
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 Pro- tein Structure Prediction. For the first time, aggressive sampling and all-atom refinement could be car- ried out for the majority of targets, an advance enabled by the Roset- ta@home distributed computing network. Template-based modeling predictions using an iterative refine- ment algorithm improved over the best existing templates for the ma- jority of proteins with less than 200 residues. Free modeling methods gave near-atomic accuracy predic- tions for several targets under 100 residues from all secondary struc- ture classes. These results indicate that refinement with an all-atom energy function, although computa- tionally expensive, is a powerful method for obtaining accurate structure predictions.
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关键词
casp,fragment insertion,all-atom refinement,rosetta,protein structure predic- tion,free model- ing.,tem- plate-based modeling,power method,model category,distributed computing,protein structure
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