OOIR: Observatory of International Research

Papers

(The TQCC of IUCrJ is 8. 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 2020-04-01 to 2024-04-01.)

Article	Citations
Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes	82
Electron-event representation data enable efficient cryoEM file storage with full preservation of spatial and temporal resolution	73
Bond-length distributions for ions bonded to oxygen: results for the transition metals and quantification of the factors underlying bond-length variation in inorganic solids	60
Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography	47
Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M^pro: insights into enzyme mechanism and drug design	47
Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures	36
findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM	35
Structural chemistry of layered lead halide perovskites containing single octahedral layers	32
1.8 Å resolution structure of β-galactosidase with a 200 kV CRYO ARM electron microscope	27
Complex imaging of phase domains by deep neural networks	27
Enhancing the signal-to-noise ratio and generating contrast for cryo-EM images with convolutional neural networks	25
Capturing structural changes of the S₁ to S₂ transition of photosystem II using time-resolved serial femtosecond crystallography	24
Advances in long-wavelength native phasing at X-ray free-electron lasers	24
A simple model for vacancy order and disorder in defective half-Heusler systems	24
Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein	23
On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model	23
Structural and biophysical aspects of L-asparaginases: a growing family with amazing diversity	23
Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography	23
REGALS: a general method to deconvolve X-ray scattering data from evolving mixtures	23
Cryo-TEM simulations of amorphous radiation-sensitive samples using multislice wave propagation	22
Hirshfeld atom like refinement with alternative electron density partitions	21
BraggNN: fast X-ray Bragg peak analysis using deep learning	20
High-speed high-resolution data collection on a 200 keV cryo-TEM	20
The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M^pro)	20
Crystallographic models of SARS-CoV-2 3CL^pro: in-depth assessment of structure quality and validation	19

Crystal structure and interaction studies of human DHTKD1 provide insight into a mitochondrial megacomplex in lysine catabolism	19
Protein–lipid architecture of a cholinergic postsynaptic membrane	19
A self-supervised workflow for particle picking in cryo-EM	19
High-resolution single-particle cryo-EM of samples vitrified in boiling nitrogen	18
Paired refinement under the control ofPAIREF	18
Local and long-range atomic/magnetic structure of non-stoichiometric spinel iron oxide nanocrystallites	18
Molecular conformational evolution mechanism during nucleation of crystals in solution	17
Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol	16
New zeolite-like RUB-5 and its related hydrous layer silicate RUB-6 structurally characterized by electron microscopy	15
Sensitive imaging of intact microvessels in vivo with synchrotron radiation	15
Fully automated multi-grid cryoEM screening using Smart Leginon	15
Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase	15
Nanosecond X-ray photon correlation spectroscopy using pulse time structure of a storage-ring source	15
The data universe of structural biology	15
Unveiling the self-association and desolvation in crystal nucleation	14
Cryo-EM structure of a thermostable bacterial nanocompartment	14
Devitrification reduces beam-induced movement in cryo-EM	14
Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive	14
An advanced workflow for single-particle imaging with the limited data at an X-ray free-electron laser	14
Deep neural networks in real-time coherent diffraction imaging	14
Structural biology in the time of COVID-19: perspectives on methods and milestones	14
Crystal structure of the NS3-like helicase from Alongshan virus	14
Microsecond hydrodynamic interactions in dense colloidal dispersions probed at the European XFEL	14
Exploiting prior knowledge about biological macromolecules in cryo-EM structure determination	14
Discerning best practices in XFEL-based biological crystallography – standards for nonstandard experiments	14
Structural plasticity of the selectivity filter in a nonselective ion channel	13
Assessing the JEOL CRYO ARM 300 for high-throughput automated single-particle cryo-EM in a multiuser environment	13
Distinct pathways of solid-to-solid phase transitions induced by defects: the case of DL-methionine	13
Enhancing deep-learning training for phase identification in powder X-ray diffractograms	13
High-resolution cryo-EM using beam-image shift at 200 keV	13
Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone	12
Anaerobic fixed-target serial crystallography	12
Improved grain mapping by laboratory X-ray diffraction contrast tomography	12
Revealing the early stages of carbamazepine crystallization by cryoTEM and 3D electron diffraction	12
Millisecond time-resolved serial oscillation crystallography of a blue-light photoreceptor at a synchrotron	12
Gold Standard for macromolecular crystallography diffraction data	11
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system	11
Orthorhombic charge density wave on the tetragonal lattice of EuAl₄	11
Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding	11
Evaluation of crystal quality of thin protein crystals based on the dynamical theory of X-ray diffraction	11
Crystal forms in pharmaceutical applications: olanzapine, a gift to crystal chemistry that keeps on giving	11
Pink-beam serial femtosecond crystallography for accurate structure-factor determination at an X-ray free-electron laser	11
Machine learning deciphers structural features of RNA duplexes measured with solution X-ray scattering	11
Structural insights into the regulation of SigB activity by RsbV and RsbW	11
Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis	10
Use of additives to regulate solute aggregation and direct conformational polymorph nucleation of pimelic acid	10
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions	10
MicroED: conception, practice and future opportunities	10
Competitive cocrystallization and its application in the separation of flavonoids	10
Fixed-target serial femtosecond crystallography using in cellulo grown microcrystals	10

Re-examining the crystal structure behaviour of nitrogen and methane	10
Water: new aspect of hydrogen bonding in the solid state	10
Molecular-replacement phasing using predicted protein structures from AWSEM-Suite	10
Neutron sub-micrometre tomography from scattering data	10
Deep learning enables the atomic structure determination of the Fanconi Anemia core complex from cryoEM	10
Accurate lattice parameters from 3D electron diffraction data. I. Optical distortions	10
Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol	10
Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy	10
Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials	9
General method to calculate the elastic deformation and X-ray diffraction properties of bent crystal wafers	9
CSD Communications of the Cambridge Structural Database	9
Crystal structure of a constitutive active mutant of adenosine A_2Areceptor	9
Approximating deformation fields for the analysis of continuous heterogeneity of biological macromolecules by 3D Zernike polynomials	9
The susceptibility of disulfide bonds towards radiation damage may be explained by S...O interactions	9
Reduction of dislocations in α-Ga₂O₃ epilayers grown by halide vapor-phase epitaxy on a conical frustum-patterned sapphire substrate	9
Relativistic Hirshfeld atom refinement of an organo-gold(I) compound	9
Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging	9
The structure of kaliophilite KAlSiO₄, a long-lasting crystallographic problem	9
Reliable cryo-EM resolution estimation with modified Fourier shell correlation	9
Crystal structure and magnetism in theS= 1/2 spin dimer compound NaCu₂VP₂O₁₀	8
Learning to automate cryo-electron microscopy data collection with Ptolemy	8
UnitCell Tools, a package to determine unit-cell parameters from a single electron diffraction pattern	8
Beyond integration: modeling every pixel to obtain better structure factors from stills	8
Tuneable local order in thermoelectric crystals	8
Atomic structures determined from digitally defined nanocrystalline regions	8
Synchrotron total-scattering data applicable to dual-space structural analysis	8
Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure	8
Structure-based screening of binding affinities via small-angle X-ray scattering	8
An automated platform for in situ serial crystallography at room temperature	8
The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation	8
On modelling disordered crystal structures through restraints from molecule-in-cluster computations, and distinguishing static and dynamic disorder	8
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	8
Hydrogen disorder in kaatialaite Fe[AsO₂(OH)₂]5H₂O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction	8
COVID-19 and cryo-EM	8