OOIR: Observatory of International Research

Papers

(The TQCC of IUCrJ is 7. 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 2020-11-01 to 2024-11-01.)

Article	Citations
Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography	59
findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM	42
Complex imaging of phase domains by deep neural networks	37
Structural chemistry of layered lead halide perovskites containing single octahedral layers	34
Capturing structural changes of the S₁ to S₂ transition of photosystem II using time-resolved serial femtosecond crystallography	30
Cryo-TEM simulations of amorphous radiation-sensitive samples using multislice wave propagation	28
The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M^pro)	27
Structural and biophysical aspects of L-asparaginases: a growing family with amazing diversity	26
BraggNN: fast X-ray Bragg peak analysis using deep learning	26
REGALS: a general method to deconvolve X-ray scattering data from evolving mixtures	26
Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography	26
High-speed high-resolution data collection on a 200 keV cryo-TEM	23
High-resolution single-particle cryo-EM of samples vitrified in boiling nitrogen	22
Crystallographic models of SARS-CoV-2 3CL^pro: in-depth assessment of structure quality and validation	21
Accurate lattice parameters from 3D electron diffraction data. I. Optical distortions	21
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system	20
Fully automated multi-grid cryoEM screening using Smart Leginon	20
Local and long-range atomic/magnetic structure of non-stoichiometric spinel iron oxide nanocrystallites	20
Microsecond hydrodynamic interactions in dense colloidal dispersions probed at the European XFEL	19
Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol	19
Exploiting prior knowledge about biological macromolecules in cryo-EM structure determination	18
Devitrification reduces beam-induced movement in cryo-EM	18
Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive	18
Cryo-EM structure of a thermostable bacterial nanocompartment	17
Deep neural networks in real-time coherent diffraction imaging	16

Unveiling the self-association and desolvation in crystal nucleation	16
Pink-beam serial femtosecond crystallography for accurate structure-factor determination at an X-ray free-electron laser	16
MicroED: conception, practice and future opportunities	16
Enhancing deep-learning training for phase identification in powder X-ray diffractograms	16
Revealing the early stages of carbamazepine crystallization by cryoTEM and 3D electron diffraction	16
Distinct pathways of solid-to-solid phase transitions induced by defects: the case of DL-methionine	16
Structural plasticity of the selectivity filter in a nonselective ion channel	15
Orthorhombic charge density wave on the tetragonal lattice of EuAl₄	15
Discerning best practices in XFEL-based biological crystallography – standards for nonstandard experiments	15
Nanosecond X-ray photon correlation spectroscopy using pulse time structure of a storage-ring source	15
Structural biology in the time of COVID-19: perspectives on methods and milestones	15
Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding	14
Improved grain mapping by laboratory X-ray diffraction contrast tomography	14
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions	13
Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone	13
CSD Communications of the Cambridge Structural Database	13
Use of additives to regulate solute aggregation and direct conformational polymorph nucleation of pimelic acid	12
Water: new aspect of hydrogen bonding in the solid state	12
Fixed-target serial femtosecond crystallography using in cellulo grown microcrystals	12
Crystal structure of a constitutive active mutant of adenosine A_2Areceptor	12
Classification of perovskite structural types with dynamical octahedral tilting	11
Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol	11
Tuneable local order in thermoelectric crystals	11
High-throughput calculation screening for new silicon allotropes with monoclinic symmetry	11
Competitive cocrystallization and its application in the separation of flavonoids	11
Organism-specific differences in the binding of ketoprofen to serum albumin	11
What is isostructurality? Questions on the definition	11
Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging	10
Learning to automate cryo-electron microscopy data collection with Ptolemy	10
Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs	10
On modelling disordered crystal structures through restraints from molecule-in-cluster computations, and distinguishing static and dynamic disorder	10
Relativistic Hirshfeld atom refinement of an organo-gold(I) compound	10
Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis	10
Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature	10
General method to calculate the elastic deformation and X-ray diffraction properties of bent crystal wafers	10
Reduction of dislocations in α-Ga₂O₃ epilayers grown by halide vapor-phase epitaxy on a conical frustum-patterned sapphire substrate	10
Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure	10
The nature of π-hole interactions between iodide anions and quinoid rings in the crystalline state	9
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	9
Approximating deformation fields for the analysis of continuous heterogeneity of biological macromolecules by 3D Zernike polynomials	9
Reverse-engineering method for XPCS studies of non-equilibrium dynamics	9
Fourth-generation light sources	9
Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction	9
Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection	9
Geometrical prediction of cleavage planes in crystal structures	9
JINXED: just in time crystallization for easy structure determination of biological macromolecules	9
Towards pump–probe single-crystal XFEL refinements for small-unit-cell systems	8
Decellularized pericardium tissues at increasing glucose, galactose and ribose concentrations and at different time points studied using scanning X-ray microscopy	8
Facing the phase problem	8
Fragmentation and transferability in Hirshfeld atom refinement	8

Experimental evidence for the benefits of higher X-ray energies for macromolecular crystallography	8
UnitCell Tools, a package to determine unit-cell parameters from a single electron diffraction pattern	8
Hydrogen disorder in kaatialaite Fe[AsO₂(OH)₂]5H₂O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction	8
Synchrotron total-scattering data applicable to dual-space structural analysis	8
Applicability of transferable multipole pseudo-atoms for restoring inner-crystal electronic force density fields. Chemical bonding and binding features in the crystal and dimer of 1,3-bis(2-hydroxyeth	8
Enantioselectivity of chiral dihydromyricetin in multicomponent solid solutions regulated by subtle structural mutation	7
Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li_1.2Ni_0.13Mn_0.54Co_0.13O₂	7
Joint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulations provide insight into the hydration step of catalysis	7
Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K	7
Slow protein dynamics probed by time-resolved oscillation crystallography at room temperature	7
Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source	7
A general method for directly phasing diffraction data from high-solvent-content protein crystals	7
Distortions, deviations and alternative facts: reliability in crystallography	7
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2°AP	7
Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi	7
Design and implementation of suspended drop crystallization	7
Differences in thermal expansion and motion ability for herringbone and face-to-face π-stacked solids	7
Orientational mapping of minerals in Pierre shale using X-ray diffraction tensor tomography	7
Community recommendations on cryoEM data archiving and validation	7