ArticleJournal of chemical information and modeling2026
Top-Down Scoring of Spectral Fitness by Image Analysis for Protein Structure Validation.
Article in Journal of chemical information and modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
2 citing papers in PubMed.
- In Vitro-Prepared A30P Alpha-Synuclein Fibrils Adopt the Conserved and Disease-Relevant Greek Key Fold.The journal of physical chemistry. B · 2026Article
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7 authors.
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Abstract
Nuclear magnetic resonance (NMR) spectroscopy is a powerful technique for protein structure determination, but traditional approaches require extensive manual assignments of hundreds to thousands of resonances. Here, we present NMRFAM-BPHON, a novel "top-down" approach that treats experimental NMR spectra as continuous grayscale images and quantitatively scores the agreement with simulated spectra generated from candidate protein structures. This method does not require complete resonance assignments, although it can incorporate experimental chemical shifts when available to improve performance. The simulated spectra are generated from postulated resonance assignments, which can be derived from empirical database predictions, direct interpretations, or a hybrid combination. BPHON employs a physics-based approximate polarization transfer model to predict cross-peak intensities from the internuclear distances in the decoy structure and models the peak line shapes using empirical, bulk T
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