IUCrJ

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 2020-10-01 to 2024-10-01.)
ArticleCitations
Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography59
findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM42
Complex imaging of phase domains by deep neural networks37
Structural chemistry of layered lead halide perovskites containing single octahedral layers34
Capturing structural changes of the S1 to S2 transition of photosystem II using time-resolved serial femtosecond crystallography30
Cryo-TEM simulations of amorphous radiation-sensitive samples using multislice wave propagation28
Enhancing the signal-to-noise ratio and generating contrast for cryo-EM images with convolutional neural networks28
The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (Mpro)27
Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography26
Structural and biophysical aspects of L-asparaginases: a growing family with amazing diversity26
BraggNN: fast X-ray Bragg peak analysis using deep learning26
REGALS: a general method to deconvolve X-ray scattering data from evolving mixtures26
Hirshfeld atom like refinement with alternative electron density partitions25
High-speed high-resolution data collection on a 200 keV cryo-TEM23
High-resolution single-particle cryo-EM of samples vitrified in boiling nitrogen22
Accurate lattice parameters from 3D electron diffraction data. I. Optical distortions21
Crystallographic models of SARS-CoV-2 3CLpro: in-depth assessment of structure quality and validation21
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system20
Fully automated multi-grid cryoEM screening using Smart Leginon20
Local and long-range atomic/magnetic structure of non-stoichiometric spinel iron oxide nanocrystallites20
Microsecond hydrodynamic interactions in dense colloidal dispersions probed at the European XFEL19
Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol19
Devitrification reduces beam-induced movement in cryo-EM18
Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive18
Exploiting prior knowledge about biological macromolecules in cryo-EM structure determination18
An advanced workflow for single-particle imaging with the limited data at an X-ray free-electron laser18
Crystal forms in pharmaceutical applications: olanzapine, a gift to crystal chemistry that keeps on giving17
Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase17
Cryo-EM structure of a thermostable bacterial nanocompartment17
Deep neural networks in real-time coherent diffraction imaging16
Unveiling the self-association and desolvation in crystal nucleation16
Pink-beam serial femtosecond crystallography for accurate structure-factor determination at an X-ray free-electron laser16
MicroED: conception, practice and future opportunities16
Enhancing deep-learning training for phase identification in powder X-ray diffractograms16
Revealing the early stages of carbamazepine crystallization by cryoTEM and 3D electron diffraction16
Distinct pathways of solid-to-solid phase transitions induced by defects: the case of DL-methionine16
High-resolution cryo-EM using beam-image shift at 200 keV15
Orthorhombic charge density wave on the tetragonal lattice of EuAl415
Nanosecond X-ray photon correlation spectroscopy using pulse time structure of a storage-ring source15
Discerning best practices in XFEL-based biological crystallography – standards for nonstandard experiments15
Structural plasticity of the selectivity filter in a nonselective ion channel15
Structural biology in the time of COVID-19: perspectives on methods and milestones15
Improved grain mapping by laboratory X-ray diffraction contrast tomography14
Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding14
Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone13
CSD Communications of the Cambridge Structural Database13
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions13
Use of additives to regulate solute aggregation and direct conformational polymorph nucleation of pimelic acid12
Water: new aspect of hydrogen bonding in the solid state12
Fixed-target serial femtosecond crystallography using in cellulo grown microcrystals12
Crystal structure of a constitutive active mutant of adenosine A2Areceptor12
Organism-specific differences in the binding of ketoprofen to serum albumin11
Competitive cocrystallization and its application in the separation of flavonoids11
Classification of perovskite structural types with dynamical octahedral tilting11
Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol11
What is isostructurality? Questions on the definition11
High-throughput calculation screening for new silicon allotropes with monoclinic symmetry11
Molecular-replacement phasing using predicted protein structures from AWSEM-Suite11
Tuneable local order in thermoelectric crystals11
Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging10
Learning to automate cryo-electron microscopy data collection with Ptolemy10
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 materials10
Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure10
On modelling disordered crystal structures through restraints from molecule-in-cluster computations, and distinguishing static and dynamic disorder10
Relativistic Hirshfeld atom refinement of an organo-gold(I) compound10
Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs10
Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature10
General method to calculate the elastic deformation and X-ray diffraction properties of bent crystal wafers10
Reduction of dislocations in α-Ga2O3 epilayers grown by halide vapor-phase epitaxy on a conical frustum-patterned sapphire substrate10
Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis10
Reverse-engineering method for XPCS studies of non-equilibrium dynamics9
Fourth-generation light sources9
Approximating deformation fields for the analysis of continuous heterogeneity of biological macromolecules by 3D Zernike polynomials9
Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection9
Geometrical prediction of cleavage planes in crystal structures9
JINXED: just in time crystallization for easy structure determination of biological macromolecules9
Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction9
The nature of π-hole interactions between iodide anions and quinoid rings in the crystalline state9
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-D9
Beyond integration: modeling every pixel to obtain better structure factors from stills9
Fragmentation and transferability in Hirshfeld atom refinement8
Experimental evidence for the benefits of higher X-ray energies for macromolecular crystallography8
UnitCell Tools, a package to determine unit-cell parameters from a single electron diffraction pattern8
Hydrogen disorder in kaatialaite Fe[AsO2(OH)2]5H2O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction8
Synchrotron total-scattering data applicable to dual-space structural analysis8
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-hydroxyeth8
Towards pump–probe single-crystal XFEL refinements for small-unit-cell systems8
Decellularized pericardium tissues at increasing glucose, galactose and ribose concentrations and at different time points studied using scanning X-ray microscopy8
Facing the phase problem8
Enantioselectivity of chiral dihydromyricetin in multicomponent solid solutions regulated by subtle structural mutation7
Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O27
Differences in thermal expansion and motion ability for herringbone and face-to-face π-stacked solids7
Orientational mapping of minerals in Pierre shale using X-ray diffraction tensor tomography7
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2°AP7
Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source7
A general method for directly phasing diffraction data from high-solvent-content protein crystals7
Joint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulations provide insight into the hydration step of catalysis7
Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K7
Community recommendations on cryoEM data archiving and validation7
Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi7
Design and implementation of suspended drop crystallization7
Distortions, deviations and alternative facts: reliability in crystallography7
Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center7
Slow protein dynamics probed by time-resolved oscillation crystallography at room temperature7
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