ArticleStructure (London, England : 1993)2022
The accuracy of protein structures in solution determined by AlphaFold and NMR.
Article in Structure (London, England : 1993), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 67 papers.
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Who cites it
67 citing papers in PubMed.
- Review
- Crystal structure of human Dickkopf 4 cysteine-rich domain 1 and evaluation of conformational rigidity.Acta crystallographica. Section F, Structural biology communications · 2026Article
- Quantifying Ligand-to-Protein Distances in Complex Environments Using IntermolecularChembiochem : a European journal of chemical biology · 2026Article
- High-pH NMR to Identify Macromolecular Hydrogen-Bonds and Foldons.bioRxiv : the preprint server for biology · 2026Article
- Comparative evaluation of the prediction accuracy of AlphaFold and ESMFold for monomeric and dimeric proteins.NAR genomics and bioinformatics · 2026Article
- Review
- Structure of the disulfide-rich modules of a striking tandem repeat protein, avian cysteine-rich eggshell membrane protein.Protein science : a publication of the Protein Society · 2026Article
- Deep Learning in Modeling Tools for Structural Insights into Protein-RNA Complexes, Bridging Computational and Spectroscopic Approaches.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Predicted peptide scaffolds for drug screening in endometrial cancer organoids.Scientific reports · 2025Article
- Protocol for deriving distance restraints from AlphaFold for use in solution NMR structure determination.STAR protocols · 2025Article
- Flexible Docking of Cyclic Peptides to Proteins Using CABS-dock.Journal of chemical theory and computation · 2025Article
- AlphaFold 3 accurately models natural variants ofMicrobiology spectrum · 2025Article
- Computational Spectroscopy Studies of Model Ternary Complexes of Copper(II), C-Peptide, and Serum Albumin Using Excited State-Targeted Geometry Optimization.Biochemistry · 2025Article
- Resurgence of magnetic resonance techniques in the era of AlphaFold.Biophysical reviews · 2025Review
- Article
- NMR-driven structure-based drug discovery by unveiling molecular interactions.Communications chemistry · 2025Review
- Unveiling the influence of fastest nobel prize winner discovery: alphafold's algorithmic intelligence in medical sciences.Journal of molecular modeling · 2025Review
- Subcellular targets and recognition mechanism ofiScience · 2025Article
- Small Disulfide Proteins with Antifungal Impact: NMR Experimental Structures as Compared to Models of Alphafold Versions.International journal of molecular sciences · 2025Article
- Functional Characterization of the SHIP1-Domains Regarding Their Contribution to Inositol 5-Phosphatase Activity.Biomolecules · 2025Article
7 more citing papers are in PubMed but not listed here.
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Authors and funding
2 authors.
Funding
Abstract
In the recent Critical Assessment of Structure Prediction (CASP) competition, AlphaFold2 performed outstandingly. Its worst predictions were for nuclear magnetic resonance (NMR) structures, which has two alternative explanations: either the NMR structures were poor, implying that Alpha-Fold may be more accurate than NMR, or there is a genuine difference between crystal and solution structures. Here, we use the program Accuracy of NMR Structures Using RCI and Rigidity (ANSURR), which measures the accuracy of solution structures, and show that one of the NMR structures was indeed poor. We then compare Alpha-Fold predictions to NMR structures and show that Alpha-Fold tends to be more accurate than NMR ensembles. There are, however, some cases where the NMR ensembles are more accurate. These tend to be dynamic structures, where Alpha-Fold had low confidence. We suggest that Alpha-Fold could be used as the model for NMR-structure refinements and that Alpha-Fold structures validated by ANSURR may require no further refinement.
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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.