Related ArticlesPerformance of the WeNMR CS-Rosetta3 web server in CASD-NMR.
J Biomol NMR. 2015 Aug;62(4):497-502
Authors: van der Schot G, Bonvin AM
Abstract
We present here the performance of the WeNMR CS-Rosetta3 web server in CASD-NMR, the critical assessment of automated structure determination by NMR. The CS-Rosetta server uses only chemical shifts for structure prediction, in combination, when available, with a post-scoring procedure based on unassigned NOE lists (Huang et al. in J Am Chem Soc 127:1665-1674, 2005b, doi: 10.1021/ja047109h). We compare the original submissions using a previous version of the server based on Rosetta version 2.6 with recalculated targets using the new R3FP fragment picker for fragment selection and implementing a new annotation of prediction reliability (van der Schot et al. in J Biomol NMR 57:27-35, 2013, doi: 10.1007/s10858-013-9762-6), both implemented in the CS-Rosetta3 WeNMR server. In this second round of CASD-NMR, the WeNMR CS-Rosetta server has demonstrated a much better performance than in the first round since only converged targets were submitted. Further, recalculation of all CASD-NMR targets using the new version of the server demonstrates that our new annotation of prediction quality is giving reliable results. Predictions annotated as weak are often found to provide useful models, but only for a fraction of the sequence, and should therefore only be used with caution.
[NMR paper] Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3.
Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3.
Related Articles Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3.
J Biomol NMR. 2015 May 20;
Authors: Cavalli A, Vendruscolo M
Abstract
We present an analysis of the results obtained at CASD-NMR round 3 by the CHESHIRE and the YAPP methods. To determine protein structures, the CHESHIRE method uses solely information provided by NMR chemical shifts, while the YAPP method uses an automated assignment of NOESY spectra....
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05-21-2015 04:28 PM
Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3
Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3
Abstract
We present an analysis of the results obtained at CASD-NMR round 3 by the CHESHIRE and the YAPP methods. To determine protein structures, the CHESHIRE method uses solely information provided by NMR chemical shifts, while the YAPP method uses an automated assignment of NOESY spectra. Of the ten targets of CASD-NMR round 3, nine CHESHIRE predictions and eight YAPP ones were submitted. The eight YAPP predictions ranged from 0.7 to 1.9 � Cα accuracy, with an...
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05-20-2015 10:27 AM
Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR
Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR
Abstract
We present here the performance of the WeNMR CS-Rosetta3 web server in CASD-NMR, the critical assessment of automated structure determination by NMR. The CS-Rosetta server uses only chemical shifts for structure prediction, in combination, when available, with a post-scoring procedure based on unassigned NOE lists (Huang et al. in J Am Chem Soc 127:1665â??1674, 2005b, doi:10.1021/ja047109h). We compare the original submissions using a previous version of the server based on...
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05-19-2015 09:10 AM
WeNMR Workshop - NMR applications on the GRID
WeNMR Workshop - NMR applications on the GRID
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Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR.
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