NOESY Jigsaw: Automated protein secondary structure and main-chain assignment from sparse, unassigned NMR data

Chris Bailey-Kellogg, Marcelo J. Berardi, Alik Widge, John H. Bushweller, John J. Kelley, Bruce Randall Donaldt

Research output: Contribution to conferencePaperpeer-review

5 Scopus citations

Abstract

The NOESY (nuclear Overhauser enhancement spectroscopy) Jigsaw algorithm is a novel high-throughput, automated approach to protein structure characterization with nuclear magnetic resonance. Jigsaw applies algorithms and probabilistic reasoning techniques, enforcing first-principles consistency rules in order to overcome a 5-10% signal-to-noise ratio. Results for three test proteins demonstrate that the method was able to identify and align approximately 80% of α-helical and 60% of β-sheet structure.

Original languageEnglish (US)
Pages33-44
Number of pages12
StatePublished - Jan 1 2000
Externally publishedYes
EventRECOMB 2000: 4th Annual International Conference on Computational Molecular Biology - Tokyo, Jpn
Duration: Apr 8 2000Apr 11 2000

Other

OtherRECOMB 2000: 4th Annual International Conference on Computational Molecular Biology
CityTokyo, Jpn
Period4/8/004/11/00

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