OOIR: Observatory of International Research

Papers

(The TQCC of IUCrJ is 6. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-09-01 to 2025-09-01.)

Article	Citations
In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry	71
Many locks to one key: N-acetylneuraminic acid binding to proteins	57
An advanced workflow for single-particle imaging with the limited data at an X-ray free-electron laser. Corrigendum	44
Nanostructure and dynamics of N-truncated copper amyloid-β peptides from advanced X-ray absorption fine structure	38
A new approach for serial electron diffraction data collection	38
CSD Communications of the Cambridge Structural Database	37
Towards improved accuracy of Hirshfeld atom refinement with an alternative electron density partition	34
Spatiotemporal control of L-phenylalanine crystallization in microemulsion: the role of water in mediating molecular self-assembly	32
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2°AP	28
Community recommendations on cryoEM data archiving and validation	27
AI-enhanced X-ray diffraction analysis: towards real-time mineral phase identification and quantification	26
Characterizing self-assembled structures made with magnetic Janus nanoparticles	26
Peptide bonds revisited	24
Waterless structures in the Protein Data Bank	24
3D-printed sheet jet for stable megahertz liquid sample delivery at X-ray free-electron lasers	24
Enhancing hydrogen positions in X-ray structures of transition metal hydride complexes with dynamic quantum crystallography	24
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement	23
Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs	22
Exploring serial crystallography for drug discovery	21
JINXED: just in time crystallization for easy structure determination of biological macromolecules	21
Locating hydrogen positions in the autunite mineral metatorbernite [Cu(UO₂)₂(PO₄)₂·8H₂O]: a combined approach using neutron powder diffraction an	21
The effect of polymorphism on polymer properties: crystal structure, stability and polymerization of the short-chain bio-based nylon 52 monomer 1,5-pentanediamine oxalate	20
Unravelling the components of diffuse scattering using deep learning	20
Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids	18
A new statistical metric for robust target detection in cryo-EM using 2D template matching	18

Insights into molecular recognition from the crystal structures of p-tert-butylcalix[6]arene complexed with different solvents	18
Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D	17
Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution	15
Differences in thermal expansion and motion ability for herringbone and face-to-face π-stacked solids	15
Conformation–aggregation interplay in the simplest aliphatic ethers probed under high pressure	15
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms	15
FLEXR-MSA: electron-density map comparisons of sequence-diverse structures	14
Design and implementation of suspended drop crystallization	14
Lipid transport across the mycobacterial cell envelope	14
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system	14
Towards a new level of quantitative treatment of 3D electron diffraction data – in-pattern optical distortions	14
Data reduction in protein serial crystallography	14
The dominant component of strong π-hole interactions: electrostatic attraction versus charge transfer	14
The structure of Chlamydomonas LOV1 as revealed by time-resolved serial synchrotron crystallography	14
Unity gives strength: combining Bertaut's and Belov's concepts and the formalism of aperiodic crystals to solve magnetic structures of unprecedented complexity	14
Towards the extraction of the crystal cell parameters from pair distribution function profiles	14
A step towards 6D WAXD tensor tomography	14
Further adventures of the perovskite family	13
Revealing the early stages of carbamazepine crystallization by cryoTEM and 3D electron diffraction	13
A predicted model-aided reconstruction algorithm for X-ray free-electron laser single-particle imaging	13
Photoinduced bidirectional mesophase transition in vesicles containing azobenzene amphiphiles	13
Using high pressure to understand the behavior of organic molecular crystals	13
Structural characterization of TIR-domain signalosomes through a combination of structural biology approaches	12
Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae	12
Structure–property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act	12
Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature	11
Low-energy tetrahedral networks for carbon and silicon from (2+1)-regular bipartite-like graphs	11
Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography	11
A novel X-ray diffraction approach to assess the crystallinity of regenerated cellulose fibers	11
Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective	11
High-resolution single-particle cryo-EM of samples vitrified in boiling nitrogen	10
Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film	10
Going beyond ensemble average angular cross-correlation analysis	10
Using deep-learning predictions reveals a large number of register errors in PDB depositions	9
Advancing dynamic quantum crystallography: enhanced models for accurate structures and thermodynamic properties	9
Crystal structure of a bacterial photoactivated adenylate cyclase determined by serial femtosecond and serial synchrotron crystallography	9
Discovery of an energy-dependent many-body process in the Kβ spectrum of manganese metal using extended-range high-energy-resolution fluorescence detection with advanced structural insights fro	9
Linking solid-state phenomena via energy differences in `archetype crystal structures'	9
New ligand-binding sites identified in the crystal structures of β-lactoglobulin complexes with desipramine	9
Crystal engineering in IUCrJ 2021: interactions, structures, properties	9
Using multiple computer-predicted structures as molecular replacement models: application to the antiviral mini-protein LCB2	9
Understanding structural distortions in hybrid layered perovskites with the n = 1 Ruddlesden–Popper structure	9
Accelerating the discovery of new materials with deep learning	8
3D electron diffraction goes multipolar	8
Molecular basis of dimerization of lytic transglycosylase revealed by the crystal structure of MltA from Acinetobacter baumannii	8
Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica	8
Metal-free enantiomorphic perovskite [dabcoH₂]²⁺[H₃O]⁺Br⁻ ₃ and its one-dimensional polar polymorph	8
IUCrJ launches electron crystallography section	8
Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4′-pyridyl)ethane cocrystals	8
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data	8

Commentary on `Facing the phase problem' by Wayne Hendrickson	7
Dynamic X-ray speckle-tracking imaging with high-accuracy phase retrieval based on deep learning	7
Comparison of side-chain dispersion in protein structures determined by cryo-EM and X-ray crystallography	7
Fourth-generation light sources	7
Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination	7
Low-density preference of the ambient and high-pressure polymorphs of DL-menthol	7
STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials	7
The curious case of proton migration under pressure in the malonic acid and 4,4′-bipyridine cocrystal	7
The nature of halogen bonding: insights from interacting quantum atoms and source function studies	7
SpeckleNN: a unified embedding for real-time speckle pattern classification in X-ray single-particle imaging with limited labeled examples	7
True molecular conformation and structure determination by three-dimensional electron diffraction of PAH by-products potentially useful for electronic applications	7
Pink beam crystallography demonstrated in SFX	7
Structural transformations and stability of benzo[a]pyrene under high pressure	6
Orientational ordering and assembly of silica–nickel Janus particles in a magnetic field	6
Making ripples in the comparison of calculated and experimental maps for real-space refinement and assessment by analytic modelling of local resolution	6
Efficient fitting of single-crystal diffuse scattering in interaction space: a mean-field approach	6
Benchmarking predictive methods for small-angle X-ray scattering from atomic coordinates of proteins using maximum likelihood consensus data	6
From formulation to structure: 3D electron diffraction for the structure solution of a new indomethacin polymorph from an amorphous solid dispersion	6
Modelling fine-sliced three dimensional electron diffraction data with dynamical Bloch-wave simulations	6
Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state	6
Towards automating single-particle cryo-EM data acquisition	6
Crystal structure of a constitutive active mutant of adenosine A_2Areceptor	6
Reverse-engineering method for XPCS studies of non-equilibrium dynamics	6
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges	6
Prism-based scanning X-ray microscopy	6
Combining experiment and prediction to explore surface chemistry and dissolution	6
Functional materials design: octahedral tilts in hybrid n = 1 Ruddlesden–Popper phases	6
Femtosecond X-rays illuminate disordered states during the early stages of crystallization	6
X-ray structure of the Rhodobacter sphaeroides reaction center with an M197 Phe→His substitution clarifies the properties of the mutant complex	6