ArticleNature communications2023
Atomic-level structure determination of amorphous molecular solids by NMR.
Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
What it found
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Who cites it
14 citing papers in PubMed.
- In Silicon Deciphering Atomic-Scale Structural Units in Peptide Glass.Angewandte Chemie (International ed. in English) · 2026Article
- Multinuclear NMR and MRI Beyond Proton Imaging: Principles, Contrast Mechanisms, and Applications in Materials and Biomedicine.International journal of molecular sciences · 2026Review
- Rapid Assignment of Chemical Shifts From Crystal Structures in Solid-State NMR.Angewandte Chemie (International ed. in English) · 2026Article
- Determination of key functional structures of an amorphous VHL-based SMARCA2 PROTAC.Nature communications · 2025Article
- Effect of Solute Concentration and Filtration Rate on the Scale Production of a Physically Stable Amorphous Solid Form of Nilotinib.Pharmaceutics · 2025Article
- Systematic Evaluation of Polarizing Agents for Dynamic Nuclear Polarization Enhanced NMR.Angewandte Chemie (International ed. in English) · 2025Article
- An advanced approach combining solid-state NMR with powder diffraction applied to newly synthesized iso-thio-uronium salts.Journal of applied crystallography · 2025Article
- Spiers Memorial Lecture: NMR crystallography.Faraday discussions · 2025Article
- The interplay of density functional selection and crystal structure for accurate NMR chemical shift predictions.Faraday discussions · 2025Article
- Uniform blue emitting carbon nanodots synthesized from fig fruit using reverse diffusion purification.Scientific reports · 2024Article
- An Updated Structure of Oxybutynin Hydrochloride.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
- Uncovering the Elusive Structures and Mechanisms of Prevalent Antidepressants.Advanced therapeutics · 2024Article
- An Updated Structure of Oxybutynin Hydrochloride.bioRxiv : the preprint server for biology · 2024Article
- Unraveling the Structure of Meclizine Dihydrochloride with MicroED.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
Corrections and comments
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Authors and funding
11 authors.
Funding
Abstract
Structure determination of amorphous materials remains challenging, owing to the disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder crystallography is a powerful method to determine the structure of molecular solids, but disorder leads to a high degree of overlap between measured signals, and prevents the unambiguous identification of a single modeled periodic structure as representative of the whole material. Here, we determine the atomic-level ensemble structure of the amorphous form of the drug AZD4625 by combining solid-state NMR experiments with molecular dynamics (MD) simulations and machine-learned chemical shifts. By considering the combined shifts of all
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