ArticleJournal of biomolecular NMR2015
Systematic evaluation of combined automated NOE assignment and structure calculation with CYANA.
Article in Journal of biomolecular NMR, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- The NMR Exchange Format (NEF): Specification and Applications.bioRxiv : the preprint server for biology · 2026Article
- Molecular interplay between ComEC domains allows for selective degradation of the non-translocating strand during natural transformation.Nucleic acids research · 2025Article
- Protocol for deriving distance restraints from AlphaFold for use in solution NMR structure determination.STAR protocols · 2025Article
- Ton motor conformational switch and peptidoglycan role in bacterial nutrient uptake.Nature communications · 2024Article
- Time-optimized protein NMR assignment with an integrative deep learning approach using AlphaFold and chemical shift prediction.Science advances · 2023Article
- Structural Analysis of Non-native Peptide-Based Catalysts Using 2D NMR-Guided MD Simulations.The journal of physical chemistry. A · 2023Article
- Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA.Nature communications · 2022Article
- Mechanism of threonine ADP-ribosylation of F-actin by a Tc toxin.Nature communications · 2022Article
- Optimization and validation of multi-state NMR protein structures using structural correlations.Journal of biomolecular NMR · 2022Article
- Evaluation of Multi-Objective Optimization Algorithms for NMR Chemical Shift Assignment.Molecules (Basel, Switzerland) · 2021Article
- Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex.Nature communications · 2019Article
- NMR structure and localization of a large fragment of the SARS-CoV fusion protein: Implications in viral cell fusion.Biochimica et biophysica acta. Biomembranes · 2018Article
- NMR assignments of sparsely labeled proteins using a genetic algorithm.Journal of biomolecular NMR · 2017Article
- Peak picking multidimensional NMR spectra with the contour geometry based algorithm CYPICK.Journal of biomolecular NMR · 2017Article
- NMR Investigation of Structures of G-protein Coupled Receptor Folding Intermediates.The Journal of biological chemistry · 2016Article
- Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.Proceedings of the National Academy of Sciences of the United States of America · 2016Article
- Solution NMR structure of CsgE: Structural insights into a chaperone and regulator protein important for functional amyloid formation.Proceedings of the National Academy of Sciences of the United States of America · 2016Article
- NMR structure calculation for all small molecule ligands and non-standard residues from the PDB Chemical Component Dictionary.Journal of biomolecular NMR · 2015Article
- Combined automated NOE assignment and structure calculation with CYANA.Journal of biomolecular NMR · 2015Article
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2 authors.
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Abstract
The automated assignment of NOESY cross peaks has become a fundamental technique for NMR protein structure analysis. A widely used algorithm for this purpose is implemented in the program CYANA. It has been used for a large number of structure determinations of proteins in solution but a systematic evaluation of its performance has not yet been reported. In this paper we systematically analyze the reliability of combined automated NOESY assignment and structure calculation with CYANA under a variety of conditions on the basis of the experimental NMR data sets of ten proteins. To evaluate the robustness of the algorithm, the original high-quality experimental data sets were modified in different ways to simulate the effect of data imperfections, i.e. incomplete or erroneous chemical shift assignments, missing NOESY cross peaks, inaccurate peak positions, inaccurate peak intensities, lower dimensionality NOESY spectra, and higher tolerances for the matching of chemical shifts and peak positions. The results show that the algorithm is remarkably robust with regard to imperfections of the NOESY peak lists and the chemical shift tolerances but susceptible to lacking or erroneous resonance assignments, in particular for nuclei that are involved in many NOESY cross peaks.
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