ArticleActa crystallographica. Section A, Foundations and advances2016
Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector.
Article in Acta crystallographica. Section A, Foundations and advances, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 70 papers.
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70 citing papers in PubMed.
- MolCryst-MLIPs: A Machine-Learned Interatomic Potentials Database for Molecular Crystals.Journal of chemical theory and computation · 2026Article
- Application of electron diffraction to rapid structural elucidation of crude reaction products.Communications chemistry · 2026Article
- Advances of 3D microcrystals electron diffraction for transmembrane protein structure determination.Biophysical journal · 2026Review
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- Direct from the seed: an atomic resolution protein structure by ab initio MicroED.Nature communications · 2026Article
- An integrated workflow for the structure elucidation of nanocrystalline powders.Communications chemistry · 2026Article
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- Unraveling atomic complexity from frozen samples.Structural dynamics (Melville, N.Y.) · 2025Article
- Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.IUCrJ · 2025Article
- 3D Electron Diffraction Structure of an Organic Semiconductor Reveals Conformational Polymorphism.Journal of the American Chemical Society · 2025Article
- How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors.Acta crystallographica. Section C, Structural chemistry · 2025Article
- Biosynthesis of Macrocyclic Peptides with C-Terminal β-Amino-α-keto Acid Groups by Three Different Metalloenzymes.ACS central science · 2024Article
- Structure Determination of Biogenic Crystals Directly from 3D Electron Diffraction Data.Crystal growth & design · 2024Article
- Advances and applications of microcrystal electron diffraction (MicroED).Current opinion in structural biology · 2024Review
- Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions inJournal of applied crystallography · 2024Article
- Biosynthesis of macrocyclic peptides with C-terminal β-amino-α-keto acid groups by three different metalloenzymes.bioRxiv : the preprint server for biology · 2024Article
- MicroED as a Powerful Tool for Structure Determination of Macrocyclic Drug Compounds Directly from Their Powder Formulations.ACS chemical biology · 2023Article
- MicroED as a powerful tool for structure determination of macrocyclic drug compounds directly from their powder formulations.bioRxiv : the preprint server for biology · 2023Article
- MicroED in drug discovery.Current opinion in structural biology · 2023Review
- Direct structure determination of vemurafenib polymorphism from compact spherulites using 3D electron diffraction.Communications chemistry · 2023Article
10 more citing papers are in PubMed but not listed here.
Corrections and comments
- Erratum issued
Authors and funding
11 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Until recently, structure determination by transmission electron microscopy of beam-sensitive three-dimensional nanocrystals required electron diffraction tomography data collection at liquid-nitrogen temperature, in order to reduce radiation damage. Here it is shown that the novel Timepix detector combines a high dynamic range with a very high signal-to-noise ratio and single-electron sensitivity, enabling ab initio phasing of beam-sensitive organic compounds. Low-dose electron diffraction data (∼ 0.013 e(-) Å(-2) s(-1)) were collected at room temperature with the rotation method. It was ascertained that the data were of sufficient quality for structure solution using direct methods using software developed for X-ray crystallography (XDS, SHELX) and for electron crystallography (ADT3D/PETS, SIR2014).
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