ArticleJournal of biomolecular NMR2013
Improving 3D structure prediction from chemical shift data.
Article in Journal of biomolecular NMR, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
What it found
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Who cites it
13 citing papers in PubMed.
- Article
- Fast NMR method to probe solvent accessibility and disordered regions in proteins.Scientific reports · 2019Article
- Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR.Journal of biomolecular NMR · 2015Article
- Improvements to REDCRAFT: a software tool for simultaneous characterization of protein backbone structure and dynamics from residual dipolar couplings.Journal of biomolecular NMR · 2014Article
- Article
- A mechanism for the auto-inhibition of hyperpolarization-activated cyclic nucleotide-gated (HCN) channel opening and its relief by cAMP.The Journal of biological chemistry · 2014Article
- An approach to sequential NMR assignments of proteins: application to chemical shift restraint-based structure prediction.Journal of biomolecular NMR · 2014Article
- Function and dynamics of macromolecular complexes explored by integrative structural and computational biology.Current opinion in structural biology · 2014Review
- Automatic NOESY assignment in CS-RASREC-Rosetta.Journal of biomolecular NMR · 2014Article
- Sparse labeling of proteins: structural characterization from long range constraints.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2014Review
- Protein NMR structures refined with Rosetta have higher accuracy relative to corresponding X-ray crystal structures.Journal of the American Chemical Society · 2014Article
- Quality assessment of protein NMR structures.Current opinion in structural biology · 2013Review
- Improved chemical shift based fragment selection for CS-Rosetta using Rosetta3 fragment picker.Journal of biomolecular NMR · 2013Article
Corrections and comments
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Authors and funding
8 authors.
Funding
Abstract
We report advances in the calculation of protein structures from chemical shift nuclear magnetic resonance data alone. Our previously developed method, CS-Rosetta, assembles structures from a library of short protein fragments picked from a large library of protein structures using chemical shifts and sequence information. Here we demonstrate that combination of a new and improved fragment picker and the iterative sampling algorithm RASREC yield significant improvements in convergence and accuracy. Moreover, we introduce improved criteria for assessing the accuracy of the models produced by the method. The method was tested on 39 proteins in the 50-100 residue size range and yields reliable structures in 70 % of the cases. All structures that passed the reliability filter were accurate (<2 Å RMSD from the reference).
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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.