Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3Reportar como inadecuado


Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3


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Publication Date: 2015-05-20

Journal Title: Journal of Biomolecular NMR

Publisher: Springer

Volume: 62

Issue: 4

Pages: 503-509

Language: English

Type: Article

Metadata: Show full item record

Citation: Cavalli, A., & Vendruscolo, M. (2015). Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3. Journal of Biomolecular NMR, 62 (4), 503-509.

Description: This is the author accepted manuscript. The final version is available at http://link.springer.com/article/10.1007%2Fs10858-015-9940-9.

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 Å Cα accuracy, with an average of 1.3 Å. The nine CHESHIRE predictions ranged from 0.8 to 2.6 Å Cα accuracy for the ordered regions of the proteins, with an average of 1.6 Å. Taken together, these results illustrate how the NOESY based YAPP method and the chemical shift based CHESHIRE method can provide structures of comparable quality.

Identifiers:

This record's URL: http://dx.doi.org/10.1007/s10858-015-9940-9http://www.repository.cam.ac.uk/handle/1810/248346





Autor: Cavalli, AndreaVendruscolo, Michele

Fuente: https://www.repository.cam.ac.uk/handle/1810/248346



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