(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 2020-06-01 to 2024-06-01.)
Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes87
Electron-event representation data enable efficient cryoEM file storage with full preservation of spatial and temporal resolution81
Bond-length distributions for ions bonded to oxygen: results for the transition metals and quantification of the factors underlying bond-length variation in inorganic solids63
Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography53
Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: insights into enzyme mechanism and drug design49
findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM37
Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures37
Structural chemistry of layered lead halide perovskites containing single octahedral layers33
Complex imaging of phase domains by deep neural networks31
1.8 Å resolution structure of β-galactosidase with a 200 kV CRYO ARM electron microscope28
Capturing structural changes of the S1 to S2 transition of photosystem II using time-resolved serial femtosecond crystallography26
Enhancing the signal-to-noise ratio and generating contrast for cryo-EM images with convolutional neural networks26
A simple model for vacancy order and disorder in defective half-Heusler systems25
Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography25
Cryo-TEM simulations of amorphous radiation-sensitive samples using multislice wave propagation25
Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein24
On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model24
REGALS: a general method to deconvolve X-ray scattering data from evolving mixtures24
Advances in long-wavelength native phasing at X-ray free-electron lasers24
Structural and biophysical aspects of L-asparaginases: a growing family with amazing diversity24
Hirshfeld atom like refinement with alternative electron density partitions22
High-speed high-resolution data collection on a 200 keV cryo-TEM22
Protein–lipid architecture of a cholinergic postsynaptic membrane21
The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (Mpro)21
High-resolution single-particle cryo-EM of samples vitrified in boiling nitrogen21
BraggNN: fast X-ray Bragg peak analysis using deep learning21
Fully automated multi-grid cryoEM screening using Smart Leginon19
Paired refinement under the control ofPAIREF19
Crystal structure and interaction studies of human DHTKD1 provide insight into a mitochondrial megacomplex in lysine catabolism19
Crystallographic models of SARS-CoV-2 3CLpro: in-depth assessment of structure quality and validation19
A self-supervised workflow for particle picking in cryo-EM19
Devitrification reduces beam-induced movement in cryo-EM18
Local and long-range atomic/magnetic structure of non-stoichiometric spinel iron oxide nanocrystallites18
Exploiting prior knowledge about biological macromolecules in cryo-EM structure determination17
Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol17
Cryo-EM structure of a thermostable bacterial nanocompartment17
An advanced workflow for single-particle imaging with the limited data at an X-ray free-electron laser16
Sensitive imaging of intact microvessels in vivo with synchrotron radiation16
Microsecond hydrodynamic interactions in dense colloidal dispersions probed at the European XFEL16
Assessing the JEOL CRYO ARM 300 for high-throughput automated single-particle cryo-EM in a multiuser environment15
Nanosecond X-ray photon correlation spectroscopy using pulse time structure of a storage-ring source15
Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase15
Deep neural networks in real-time coherent diffraction imaging15
Accurate lattice parameters from 3D electron diffraction data. I. Optical distortions14
High-resolution cryo-EM using beam-image shift at 200 keV14
Discerning best practices in XFEL-based biological crystallography – standards for nonstandard experiments14
Unveiling the self-association and desolvation in crystal nucleation14
Revealing the early stages of carbamazepine crystallization by cryoTEM and 3D electron diffraction14
Structural biology in the time of COVID-19: perspectives on methods and milestones14
Enhancing deep-learning training for phase identification in powder X-ray diffractograms14
Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding14
Structural plasticity of the selectivity filter in a nonselective ion channel14
Distinct pathways of solid-to-solid phase transitions induced by defects: the case of DL-methionine14
Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive14
Anaerobic fixed-target serial crystallography13
Improved grain mapping by laboratory X-ray diffraction contrast tomography13
Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone13
Millisecond time-resolved serial oscillation crystallography of a blue-light photoreceptor at a synchrotron13
Crystal forms in pharmaceutical applications: olanzapine, a gift to crystal chemistry that keeps on giving13
Pink-beam serial femtosecond crystallography for accurate structure-factor determination at an X-ray free-electron laser12
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system12
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions11
Water: new aspect of hydrogen bonding in the solid state11
Structural insights into the regulation of SigB activity by RsbV and RsbW11
CSD Communications of the Cambridge Structural Database11
The susceptibility of disulfide bonds towards radiation damage may be explained by S...O interactions11
Machine learning deciphers structural features of RNA duplexes measured with solution X-ray scattering11
Competitive cocrystallization and its application in the separation of flavonoids11
Fixed-target serial femtosecond crystallography using in cellulo grown microcrystals11
Gold Standard for macromolecular crystallography diffraction data11
Evaluation of crystal quality of thin protein crystals based on the dynamical theory of X-ray diffraction11
MicroED: conception, practice and future opportunities11
Orthorhombic charge density wave on the tetragonal lattice of EuAl411
Use of additives to regulate solute aggregation and direct conformational polymorph nucleation of pimelic acid11
On modelling disordered crystal structures through restraints from molecule-in-cluster computations, and distinguishing static and dynamic disorder10
Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy10
An automated platform for in situ serial crystallography at room temperature10
Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging10
Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol10
Neutron sub-micrometre tomography from scattering data10
Deep learning enables the atomic structure determination of the Fanconi Anemia core complex from cryoEM10
Re-examining the crystal structure behaviour of nitrogen and methane10
Molecular-replacement phasing using predicted protein structures from AWSEM-Suite10
Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis10
Approximating deformation fields for the analysis of continuous heterogeneity of biological macromolecules by 3D Zernike polynomials9
Tuneable local order in thermoelectric crystals9
Geometrical prediction of cleavage planes in crystal structures9
Reliable cryo-EM resolution estimation with modified Fourier shell correlation9
Relativistic Hirshfeld atom refinement of an organo-gold(I) compound9
The structure of kaliophilite KAlSiO4, a long-lasting crystallographic problem9
Organism-specific differences in the binding of ketoprofen to serum albumin9
Crystal structure of a constitutive active mutant of adenosine A2Areceptor9
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 materials9
Structural basis of self-assembly in the lipid-binding domain of mycobacterial polar growth factor Wag319
General method to calculate the elastic deformation and X-ray diffraction properties of bent crystal wafers9
Reduction of dislocations in α-Ga2O3 epilayers grown by halide vapor-phase epitaxy on a conical frustum-patterned sapphire substrate9
Learning to automate cryo-electron microscopy data collection with Ptolemy8
UnitCell Tools, a package to determine unit-cell parameters from a single electron diffraction pattern8
Beyond integration: modeling every pixel to obtain better structure factors from stills8
Synchrotron total-scattering data applicable to dual-space structural analysis8
Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure8
Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction8
The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation8
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-D8
Hydrogen disorder in kaatialaite Fe[AsO2(OH)2]5H2O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction8
COVID-19 and cryo-EM8