ArticleJournal of biomolecular NMR2015
The second round of Critical Assessment of Automated Structure Determination of Proteins by NMR: CASD-NMR-2013.
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 18 papers.
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Who cites it
18 citing papers in PubMed.
- Modeling protein conformational ensembles by guiding AlphaFold2 with Double Electron Electron Resonance (DEER) distance distributions.Nature communications · 2025Article
- Perspective: on the importance of extensive, high-quality and reliable deposition of biomolecular NMR data in the age of artificial intelligence.Journal of biomolecular NMR · 2024Article
- The 100-protein NMR spectra dataset: A resource for biomolecular NMR data analysis.Scientific data · 2024Article
- Recent Advances in NMR Protein Structure Prediction with ROSETTA.International journal of molecular sciences · 2023Review
- Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA.Nature communications · 2022Article
- AlphaFold Models of Small Proteins Rival the Accuracy of Solution NMR Structures.Frontiers in molecular biosciences · 2022Article
- Assessment of prediction methods for protein structures determined by NMR in CASP14: Impact of AlphaFold2.Proteins · 2021Article
- ARIAweb: a server for automated NMR structure calculation.Nucleic acids research · 2020Article
- A protocol to automatically calculate homo-oligomeric protein structures through the integration of evolutionary constraints and NMR ambiguous contacts.Computational and structural biotechnology journal · 2020Article
- Article
- Rapid and reliable protein structure determination via chemical shift threading.Journal of biomolecular NMR · 2018Article
- Modern Technologies of Solution Nuclear Magnetic Resonance Spectroscopy for Three-dimensional Structure Determination of Proteins Open Avenues for Life Scientists.Computational and structural biotechnology journal · 2017Review
- Peak picking multidimensional NMR spectra with the contour geometry based algorithm CYPICK.Journal of biomolecular NMR · 2017Article
- Integrative NMR for biomolecular research.Journal of biomolecular NMR · 2016Article
- Probabilistic validation of protein NMR chemical shift assignments.Journal of biomolecular NMR · 2016Article
- A robust algorithm for optimizing protein structures with NMR chemical shifts.Journal of biomolecular NMR · 2015Article
- Automated protein structure determination by NMR.Journal of biomolecular NMR · 2015Article
- Analysis of the structural quality of the CASD-NMR 2013 entries.Journal of biomolecular NMR · 2015Article
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19 authors.
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Abstract
The second round of the community-wide initiative Critical Assessment of automated Structure Determination of Proteins by NMR (CASD-NMR-2013) comprised ten blind target datasets, consisting of unprocessed spectral data, assigned chemical shift lists and unassigned NOESY peak and RDC lists, that were made available in both curated (i.e. manually refined) or un-curated (i.e. automatically generated) form. Ten structure calculation programs, using fully automated protocols only, generated a total of 164 three-dimensional structures (entries) for the ten targets, sometimes using both curated and un-curated lists to generate multiple entries for a single target. The accuracy of the entries could be established by comparing them to the corresponding manually solved structure of each target, which was not available at the time the data were provided. Across the entire data set, 71 % of all entries submitted achieved an accuracy relative to the reference NMR structure better than 1.5 Å. Methods based on NOESY peak lists achieved even better results with up to 100% of the entries within the 1.5 Å threshold for some programs. However, some methods did not converge for some targets using un-curated NOESY peak lists. Over 90% of the entries achieved an accuracy better than the more relaxed threshold of 2.5 Å that was used in the previous CASD-NMR-2010 round. Comparisons between entries generated with un-curated versus curated peaks show only marginal improvements for the latter in those cases where both calculations converged.
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