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 2020-07-01 to 2024-07-01.)

Article	Citations
Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes	87
Electron-event representation data enable efficient cryoEM file storage with full preservation of spatial and temporal resolution	83
Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography	53
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	50
Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures	38
findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM	38
Structural chemistry of layered lead halide perovskites containing single octahedral layers	33
Complex imaging of phase domains by deep neural networks	32
Enhancing the signal-to-noise ratio and generating contrast for cryo-EM images with convolutional neural networks	27
Capturing structural changes of the S₁ to S₂ transition of photosystem II using time-resolved serial femtosecond crystallography	26
Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography	25
Advances in long-wavelength native phasing at X-ray free-electron lasers	25
Structural and biophysical aspects of L-asparaginases: a growing family with amazing diversity	25
Cryo-TEM simulations of amorphous radiation-sensitive samples using multislice wave propagation	25
REGALS: a general method to deconvolve X-ray scattering data from evolving mixtures	24
On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model	24
High-speed high-resolution data collection on a 200 keV cryo-TEM	22
The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M^pro)	22
Hirshfeld atom like refinement with alternative electron density partitions	22
BraggNN: fast X-ray Bragg peak analysis using deep learning	22
High-resolution single-particle cryo-EM of samples vitrified in boiling nitrogen	21
Crystallographic models of SARS-CoV-2 3CL^pro: in-depth assessment of structure quality and validation	21
Protein–lipid architecture of a cholinergic postsynaptic membrane	21
Fully automated multi-grid cryoEM screening using Smart Leginon	19
Exploiting prior knowledge about biological macromolecules in cryo-EM structure determination	18

Devitrification reduces beam-induced movement in cryo-EM	18
Local and long-range atomic/magnetic structure of non-stoichiometric spinel iron oxide nanocrystallites	18
An advanced workflow for single-particle imaging with the limited data at an X-ray free-electron laser	17
Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol	17
Cryo-EM structure of a thermostable bacterial nanocompartment	17
Microsecond hydrodynamic interactions in dense colloidal dispersions probed at the European XFEL	16
Sensitive imaging of intact microvessels in vivo with synchrotron radiation	16
Nanosecond X-ray photon correlation spectroscopy using pulse time structure of a storage-ring source	15
Crystal forms in pharmaceutical applications: olanzapine, a gift to crystal chemistry that keeps on giving	15
Deep neural networks in real-time coherent diffraction imaging	15
Distinct pathways of solid-to-solid phase transitions induced by defects: the case of DL-methionine	15
Revealing the early stages of carbamazepine crystallization by cryoTEM and 3D electron diffraction	15
Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase	15
Structural plasticity of the selectivity filter in a nonselective ion channel	14
Discerning best practices in XFEL-based biological crystallography – standards for nonstandard experiments	14
Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive	14
Accurate lattice parameters from 3D electron diffraction data. I. Optical distortions	14
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system	14
Structural biology in the time of COVID-19: perspectives on methods and milestones	14
Enhancing deep-learning training for phase identification in powder X-ray diffractograms	14
Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding	14
High-resolution cryo-EM using beam-image shift at 200 keV	14
Improved grain mapping by laboratory X-ray diffraction contrast tomography	14
Unveiling the self-association and desolvation in crystal nucleation	14
Orthorhombic charge density wave on the tetragonal lattice of EuAl₄	13
Anaerobic fixed-target serial crystallography	13
Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone	13
CSD Communications of the Cambridge Structural Database	12
Pink-beam serial femtosecond crystallography for accurate structure-factor determination at an X-ray free-electron laser	12
MicroED: conception, practice and future opportunities	12
The susceptibility of disulfide bonds towards radiation damage may be explained by S...O interactions	12
Fixed-target serial femtosecond crystallography using in cellulo grown microcrystals	12
Gold Standard for macromolecular crystallography diffraction data	12
Water: new aspect of hydrogen bonding in the solid state	12
Machine learning deciphers structural features of RNA duplexes measured with solution X-ray scattering	11
Neutron sub-micrometre tomography from scattering data	11
Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy	11
Use of additives to regulate solute aggregation and direct conformational polymorph nucleation of pimelic acid	11
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions	11
Competitive cocrystallization and its application in the separation of flavonoids	11
On modelling disordered crystal structures through restraints from molecule-in-cluster computations, and distinguishing static and dynamic disorder	10
Molecular-replacement phasing using predicted protein structures from AWSEM-Suite	10
An automated platform for in situ serial crystallography at room temperature	10
Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging	10
Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol	10
The structure of kaliophilite KAlSiO₄, a long-lasting crystallographic problem	10
Deep learning enables the atomic structure determination of the Fanconi Anemia core complex from cryoEM	10
Re-examining the crystal structure behaviour of nitrogen and methane	10
Organism-specific differences in the binding of ketoprofen to serum albumin	10
Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis	10

High-throughput calculation screening for new silicon allotropes with monoclinic symmetry	9
Reliable cryo-EM resolution estimation with modified Fourier shell correlation	9
Relativistic Hirshfeld atom refinement of an organo-gold(I) compound	9
Tuneable local order in thermoelectric crystals	9
General method to calculate the elastic deformation and X-ray diffraction properties of bent crystal wafers	9
Reduction of dislocations in α-Ga₂O₃ epilayers grown by halide vapor-phase epitaxy on a conical frustum-patterned sapphire substrate	9
Beyond integration: modeling every pixel to obtain better structure factors from stills	9
Geometrical prediction of cleavage planes in crystal structures	9
Crystal structure of a constitutive active mutant of adenosine A_2Areceptor	9
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
Approximating deformation fields for the analysis of continuous heterogeneity of biological macromolecules by 3D Zernike polynomials	9
Hydrogen disorder in kaatialaite Fe[AsO₂(OH)₂]5H₂O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction	8
The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation	8
Decellularized pericardium tissues at increasing glucose, galactose and ribose concentrations and at different time points studied using scanning X-ray microscopy	8
COVID-19 and cryo-EM	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
Experimental evidence for the benefits of higher X-ray energies for macromolecular crystallography	8
Learning to automate cryo-electron microscopy data collection with Ptolemy	8
Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure	8
Synchrotron total-scattering data applicable to dual-space structural analysis	8
Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction	8
UnitCell Tools, a package to determine unit-cell parameters from a single electron diffraction pattern	8