ArticleJournal of biomolecular NMR2009
Automated protein structure calculation from NMR data.
Article in Journal of biomolecular NMR, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers.
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Who cites it
28 citing papers in PubMed, 60 citations in OpenAlex.
- The accuracy of protein structures in solution determined by AlphaFold and NMR.Structure (London, England : 1993) · 2022Article
- Novelty detection for metabolic dynamics established on breast cancer tissue using 2D NMR TOCSY spectra.Computational and structural biotechnology journal · 2022Article
- Exploratory machine-learned theoretical chemical shifts can closely predict metabolic mixture signals.Chemical science · 2018Article
- POTENCI: prediction of temperature, neighbor and pH-corrected chemical shifts for intrinsically disordered proteins.Journal of biomolecular NMR · 2018Article
- Automated Fragmentation QM/MM Calculation of NMR Chemical Shifts for Protein-Ligand Complexes.Frontiers in chemistry · 2018Article
- Enhanced biosynthetically directed fractional carbon-13 enrichment of proteins for backbone NMR assignments.Protein expression and purification · 2015Article
- CONNJUR R: an annotation strategy for fostering reproducibility in bio-NMR-protein spectral assignment.Journal of biomolecular NMR · 2015Article
- AFNMR: automated fragmentation quantum mechanical calculation of NMR chemical shifts for biomolecules.Journal of biomolecular NMR · 2015Article
- Combined automated NOE assignment and structure calculation with CYANA.Journal of biomolecular NMR · 2015Article
- Improved reliability, accuracy and quality in automated NMR structure calculation with ARIA.Journal of biomolecular NMR · 2015Article
- CASD-NMR 2: robust and accurate unsupervised analysis of raw NOESY spectra and protein structure determination with UNIO.Journal of biomolecular NMR · 2015Article
- Analysis of the structural quality of the CASD-NMR 2013 entries.Journal of biomolecular NMR · 2015Article
- The second round of Critical Assessment of Automated Structure Determination of Proteins by NMR: CASD-NMR-2013.Journal of biomolecular NMR · 2015Article
- Exploiting image registration for automated resonance assignment in NMR.Journal of biomolecular NMR · 2015Article
- Systematic evaluation of combined automated NOE assignment and structure calculation with CYANA.Journal of biomolecular NMR · 2015Article
- Median Modified Wiener Filter for nonlinear adaptive spatial denoising of protein NMR multidimensional spectra.Scientific reports · 2015Article
- Reliability of exclusively NOESY-based automated resonance assignment and structure determination of proteins.Journal of biomolecular NMR · 2013Article
- Determining protein structures from NOESY distance constraints by semidefinite programming.Journal of computational biology : a journal of computational molecular cell biology · 2013Article
- Peakmatch: a simple and robust method for peak list matching.Journal of biomolecular NMR · 2013Article
- A unified NMR strategy for high-throughput determination of backbone fold of small proteins.Journal of structural and functional genomics · 2012Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Current software is almost at the stage to permit completely automatic structure determination of small proteins of <15 kDa, from NMR spectra to structure validation with minimal user interaction. This goal is welcome, as it makes structure calculation more objective and therefore more easily validated, without any loss in the quality of the structures generated. Moreover, it releases expert spectroscopists to carry out research that cannot be automated. It should not take much further effort to extend automation to ca 20 kDa. However, there are technological barriers to further automation, of which the biggest are identified as: routines for peak picking; adoption and sharing of a common framework for structure calculation, including the assembly of an automated and trusted package for structure validation; and sample preparation, particularly for larger proteins. These barriers should be the main target for development of methodology for protein structure determination, particularly by structural genomics consortia.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.