Structural Dynamics-US

Article	Citations
In crystallo observation of active site dynamics and transient metal ion binding within DNA polymerases	41
Photodiode-based time zero determination for ultrafast electron microscopy	24
Practicing FAIR research with SBGrid	23
Cryo-EM reveals a bi-copper cluster coordinating asymmetric electron transfer in the nitrogenase-like DPOR complex	20
Structural characterization of nucleic acid-loaded lipid nanoparticles leveraging a high-throughput small angle X-ray scattering platform	19
SERCAT II - the next generation	18
High Resolution Crystal Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain with Part of Flexible N-Arm in complex with ssDNA	17
MicroED data: from microscope to archive	17
Molecular Interplay of VPS34 Inhibition by Novel Drug Targets: A Promising Approach for Tailored Cancer Therapeutics	16
Allosteric and Cooperative Networks in a Homodimeric Epoxide Hydrolase	14
Solving complex structures for Na-ion batteries from powder diffraction	13
Massive Compression for High Data Rate Macromolecular Crystallography (HDRMX): Impact on Diffraction Data and Subsequent Structural Analysis	13
Complex Crystallography in Modulated BiIr4Se8	12
Automated serial (rotation) electron diffraction for high-throughput structure determination and phase analysis of complex polycrystalline samples	12
The long and short of it: Combining X-ray Diffraction, PDF, Neutron PDF and EXAFS to elucidate both long-range and short- range defects in Magnesium Cathode Materials	12
Structural Characterization of the SARS-CoV-2 Replication and Transcription Complex	11
Optimal TELSAM-Target Protein Linker Character is Target Protein-Dependent	10
Adsorption and separations of small molecules in porous media	9
Neutron Scattering Study of a Frustrated Kagome-Strip Structure: Na2Co3(AsO4)2(OH)2	9
NucleoFind: A Deep-Learning Network for Interpreting Nucleic Acid Electron Density	9
Crystallographic characterization and polymorphism in a calcium-based porphyrinic MOF with biomedical potential	9
Neutrons & MnSOD: Past & Future	8
Keeping 3D electron crystallography relevant: Leveraging new technologies for 3D ED/MicroED at a regional cryoEM center	8
Structural Determination of the Interaction of H2S and Insulin	8
Time-Resolved Pump-Probe X-Ray Solution Scattering Capabilities at BioCARS 14 ID Beamline, Advanced Photon Source.	7

Differentiating the Oxidation States of Copper in a Type-I Copper Protein Using XANES Spectra in the Crystalline State: A Comparison with Single-Crystal X-ray Crystallography Study	7
Robust error calibration for serial crystallography	7
Structural insights into the mechanism of malaria-protective antibodies from the IGHV3-49/IGKV2D-29 lineage	7
Prevalence and Significance of Approximate Symmetry in Z’ > 1 Orgainc Structures	7
Semi-automated modeling of reaction states in time-resolved serial femtosecond crystallography using molecular dynamics sampled conformations	6
Probing optically driven K3C60 thin films with an ultrafast voltmeter	6
A multiscale imaging approach to studying the harpoon-like invasion organelle from microsporidian pathogens	6
Structure and dynamics of supercooled water in the hydration layer of poly(ethylene glycol)	6
RCSB Protein Data Bank (PDB): Driving Research and Education Using Experimentally-Determined Structures and Computed Structure Models from Artificial Intelligence/Machine Learning	6
Direct detection in CdTe enables high efficiency for short- and dual-wavelength instruments	5
Intermediate states of nucleotide addition by HIV-1 Reverse Transcriptase	5
Square beams for optimal tiling in TEM	5
A Light Source Role: Engaging students in crystallography and beyond	5
Long- and short-range structure in layered battery materials and magnetic materials	5
Peer Review for Beginners and Beyond	5
Access and Experiments with MicroED at Yale University for Biomaterials Characterization	5
State of the Art Instruments for Dynamics and Structure: APS-U Feature Beamlines 9-ID and 8-ID	5
XFEL and Electron Crystallography of Organic Compounds	5
Developing Novel Ligands with Binding Affinity Using Machine Learning	4
Semi-automated 3DED/microED data collection and processing unveil multiple polymorphs in biogenic guanine crystals from fish	4
Validation of 3D cryoEM single-particle reconstruction correctness and handedness with Ewald's sphere correction	4
Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of a phosphatase enzyme	4
Projection to extract the perpendicular component (PEPC) method for extracting kinetics from time-resolved data	4
Structural mechanisms of DNA priming by polymerase α–primase	4
Understanding alternative splicing regulation using yeast U1 snRNP	4
Dual Substrate Binding stabilizes the Catalytic State in Ketohexokinase	4
Molecular basis of uphill energy transfer for photosynthesis in the Antarctic alga	3
Investigating Additive Manufacturing Processes of Polymeric Materials with X-ray Scattering Techniques	3
Practical considerations for the analysis of time-resolved x-ray data	3
Structural and Functional Analysis of Sporulation and Germination in Bacterial Endospores	3
Time-resolved cryogenic electron tomography using mix-and-inject microfluidic devices	3
Using Neutrons to Elucidate the Catalytic Shift from Superoxide Dismutase to Peroxidase Activity in Fe-Substituted Human MnSOD	3
Understanding the off-loading mechanism of adenosylcobalamin by Cupriviadus metallidurans adenosyltransferase from C. metalliduran	3
TELSAM-DARPin protein complexes may exhibit partial molecule exclusion when in complex with target proteins	3
The nature of dynamic local order in hybrid lead halide perovskites	3
Autonomous Reduction and Analysis of 2D Diffraction and Scattering Data	3
Making MicroED Accessible at a CryoEM Center Through Training and Infrastructure	3
New and Updated Features in Phenix for Macromolecular Structure Determination	3
Aminoacyl-tRNA synthetase urzymes optimized by deep learning behave as a quasispecies	2
Cryo-EM reveals the structural and functional role of prothrombin recognition by type-I anti-prothrombin antibody in Antiphospholipid Syndrome	2
Utilizing SacB Negative Selection in E. coli to Evaluate 10-23 DNAzyme Activity in Cellular Conditions	2
Lithium Coordination Complexes and Polymers of 1,4-Diazines	2
Burkholderia pseudomallei rubrerythrin binds metals promiscuously in a pre-formed four-helix bundle	2
A crystal-clear path to promoting crystallography to undergraduate students	2
Deep mining of the protein energy landscape	2
Non-thermal structural transformation of diamond driven by x-rays	2
A kiloelectron-volt ultrafast electron micro-diffraction apparatus using low emittance semiconductor photocathodes	2
How WYPT Aided in the Structure Solution of P1 from Pseudomonas aeruginosa	2
Time-resolved structural dynamics of the out-of-equilibrium charge density wave phase transition in GdTe3	2
Analytical Differentiable Finite-Resolution Density Map Calculation in CCTBX/Phenix	2

Low-Temperature Synthesis and Characterization of Hybrid Heavy Metal Zero- Dimensional Cluster Compounds Containing Pt/Ir and Bi.	2
Structural Biology-Guided Multiomics of the Human Microbiome	2
Dynamics retrieval from stochastically weighted incomplete data by low-pass spectral analysis	2
Crystallization dynamics of thin film ternary nitrides	2
Accelerating structural dynamics through integrated research informatics	2
Cryo-EM Studies of Genome Organization and Transcription Complexes	2
Done before needed: The infrastructure that made crystallography so popular for machine learning	2
Measurement of chemical information using 3D ED and Cryo-EM	2
Modeling is Believing? How AlphaFold2 Can Mislead Molecular Interpretation	2
SISYPHOS: An automatic procedure for the serial refinement of single-crystal diffraction data in Olex2	1
BioSAXS measurement and analysis system in Japanese synchrotron radiation facilities, Photon Factory and SPring-8	1
Crystallization of VPS34 with Small Molecule Drug Candidates	1
Structural basis for inactivation of PRC2 by RNA	1
A Trp to a Cu binding site	1
Oxos, Diamond Cores, and Oxides: A Look at Co-O	1
Advancing Cryo-ET Sample Preparation: Integrated FLM for Cryo-FIB for targeted milling of challenging samples.	1
Small LEA proteins mitigate air-water interface damage to fragile cryo-EM samples during plunge freezing	1
Electron population dynamics in resonant non-linear x-ray absorption in nickel at a free-electron laser	1
Crystal and Electronic Structure of Ba12Ga15As22	1
Electron-counting for MicroED	1
Metal-Organic Frameworks (MOFs) Based Heterojunction for the Photocatalytic Degradation of PFAS	1
New Opportunities to Study Metalloprotein Structure and Dynamics	1
Non-equilibrium states and interactions in the topological insulator and topological crystalline insulator phases of NaCd4As3	1
Probing the function and structure of SwrD, a potential flagellar motor power enhancer	1
Accelerating drug discovery at Exelixis through cryo-EM	1
Structure Determination of Difficult to Grow Active Pharmaceutical Ingredients (APIs) using MicroED	1
Hide and Go Seek: Finding the Locations of Ca, Zn, and S ions within LTA Zeolite Modified for H2S Capture	1
Automated high-throughput high-resolution X-ray diffraction capabilities at SSRL BL 2-1	1
Conformational dynamics of adenylate kinase in crystals	1
Centering students and collaboration in science: humanizing the development of unnatural amino acids as tools to study protein structure	1
Using in situ X-ray diffraction to understand metathesis reactions towards ternary nitrides	1
Disentangling the evolution of electrons and holes in photoexcited ZnO nanoparticles	1
Sample Environments for Extreme Biology of Small-Angle Neutron Scattering at Oak Ridge National Laboratory	1
Blue and red in the protein world: Photoactive yellow protein and phytochromes as revealed by time-resolved crystallography	1
From crystallography to alt-ac drug discovery to NIH	1
Quantum-based atomic model refinement becomes reality	1
Spatiotemporal determination of photoinduced strain in a Weyl semimetal	1
Complex Water Networks Visualized through Cryogenic Electron Microscopy of RNA	1
CrysFormer: Protein structure determination via Patterson maps, deep learning, and partial structure attention	1
Quantitative mapping and visualizing of insulin hormone maturation	1
Resolving structurally heterogeneous ribosomes in situ with tomoDRGN	1
Investigating Polymer Flipping and Lattice Disruptions in TELSAM-Facilitated Protein Crystallization	1
Cryo-EM Structural Characterization of the FeFe-Hydrogenase Maturase Complex	1
Sub-tomogram averaging of structural proteins from respiratory syncytial virus released from cells grown and infected on grids reveals molecular organization of filamentous virions	0
Neutron and X-ray Diffraction Investigation of Crystal Structure and Phase Transition for Na2/3[NiyMnzAl1-y-z]O2 as a Cathode Material for Sodium-ion Batteries	0
Characterization of NMC cathodes and batteries via operando diffraction studies	0
Advancements in Electron Diffraction: A broad overview of the current state of ELDICO ED-1 electron diffractometer and some case studies.	0
CrystalPilot: A machine-learning based software platform for single crystal neutron diffraction experiments	0
Data retention for high-throughout XFEL chemical crystallography	0
When does structure modeling go wrong? A PDB-scale analysis of protein structure model validation using DAQ Score	0
Learning, working, and teaching non-standard Crystallographic Techniques	0
Enabling Next-Generation Structural Science with Cloud and Edge Computing	0
Teaching crystallography in virtual reality environments	0
Navigating the Data Deluge at the SLS 2.0 Macromolecular Crystallography (MX) Beamlines	0
Whither the protein landscape?	0
A Guide to Reviewing Tables, Graphs, and Figures	0
Elucidating spatial heterogeneities in 3D printed thermoplastic elastomers using micro-beam small-angle x-ray scattering	0
Spatial–temporal characterization of photoemission in a streak-mode dynamic transmission electron microscope	0
MagIC-Cryo-EM: Structural determination on magnetic beads for scarce macromolecules in heterogeneous samples	0
Structural insights into a high-fidelity CRISPR-Cas12a variant revealed using optimized graphene oxide cryo-EM grids	0
Insights from an early career faculty on peer review	0
Structural dynamics at surfaces by ultrafast reflection high-energy electron diffraction	0
New Methods in RNA Structural Biology: TELSAM Protein Chaperone Crystallography Applications to Folded RNA	0
Characterization of reconstituted receptor-histidine kinase core signaling complexes	0
Is this publishable (please)? Quality in Crystallography	0
Diffraction-Guided Natural Product Discovery	0
MerlinEM, the universal detector for 4D STEM and microED	0
Structural insights of anti-MHC-I monoclonal antibodies that block NK cell receptor interactions with tumors	0
Advanced glycation end product (AGE) crosslinking of a bacterial protein: Are AGE-modifications going undetected in our studies?	0
From Skeptic to Believer: Monitoring a Ring-Opening Isomerization of a CeIV Complex in the Solid-State Using a Home-Source Diffractometer	0
Structural Basis of Activity of and Resistance to HIV Integrase Inhibitors	0
Simple techniques to improve particle distribution and data quality for dynamic protein-nucleic acid complexes	0
Dueling Robots: Concurrent, Robotic, AI-Driven SAXS and SANS to Solve Industrial Problems	0
Structural insights into the inhibition of M. tuberculosis Prolyl-tRNA synthetase by derivatives of 3-aminopyrazine-2-carboxamide	0
My academic career journey in structural science and engineering	0
CRAFT (CENTER FOR THE RESEARCH AND ADVANCEMENT IN FRAGMENTS AND MOLECULAR TARGETS) : A BRAZILIAN CENTER FOR DRUG DISCOVERY	0
Wide-angle scattering studies of nucleic acids	0
Recent advances and upgrades in the advanced crystallographic program at NSF’s ChemMatCARS	0
Gigahertz streaking and compression of low-energy electron pulses	0
Understanding the Molecular Mechanism of Redondovirus Rep in Rolling Circle Replication of the Redondoviral Genome	0

Photon to Electron - Journey of a Forever Student!	0
Quantum Crystallography as a Chemist's Tool for Bond Analysis	0
Sensitive Detection of Structural Differences within a Statistical Framework for Comparative Crystallography	0
ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models	0
Cows, Pigs and People: Enhanced Intensity-Based Clustering of Isomorphous Multi- Crystal Datasets in the Presence of Subtle Variations	0
Poorly Diffracting Samples: What is Weak Data and What is Noise?	0
Advances in structural science: Education, outreach, and research applications	0
Predicting protein structure and dynamics with deep learning and solution scattering	0
Current capabilities and new initiatives of the Advanced Crystallographic Program at NSF’s ChemMatCARS	0
Predictive modeling and x-ray crystallography for mechanistic understanding of GO DNA repair	0
Structural and functional impact of MProG48Y/ΔP168 mutations in SARS-CoV-2 main protease exhibiting resistance to potent inhibitors	0
NoSpherA2 in the Hands of a Synthetic Chemist: The Future is Now	0
Lessons Learned Implementing a Protein Crystallography CURE	0
New and Updated Features in Phenix for Macromolecular Structure Determination	0
The Crucial Role of Water Molecules in Stabilizing the Repressor/Operator Complex in the TrpR Repressor Family	0
Structural insights into GrpEL1-mediated nucleotide and substrate release of mitochondrial Hsp70	0
The Sol platform: Integrating computation and ML/AI with structural data for research and drug discovery	0
Selenium-derivatized Nucleic Acids for Phasing, Crystal Growth, Structure Determination and Beyond	0
Biophysical Characterization of the Pseudomonas aeruginosa BqsR/BqsS Two-Component System	0
Machine-learning and structure-based discovery of SARS-CoV-2 papain-like protease (PLpro) inhibitors with efficacy in a murine infection model	0
Synthesis technique and electron beam damage study of nanometer-thin single-crystalline thymine	0
Protein Data Bank: From Two Epidemics to the Global Pandemic to mRNA Vaccines and Paxlovid	0
Mechanism of Herpes Simplex Virus Inhibition by Antiviral Compounds	0
Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches	0
Observations on Laue diffraction within synchrotron radiation and neutron macromolecular crystallography research and developments	0
Defining Grading Tools for Complex Small Molecules to Enable Assessment of Quality and Appropriate Reuse of Data	0
Don’t Panic & Other Thoughts on Crystallographic Refereeing	0
How protein kinase inhibitors bind to the hinge region of the target protein.	0
Predicting electrostatic and optoelectronic properties of biomolecules via group polarizability approach	0
Metalloproteins in emerging pathogens	0
KINNTREX: A Neural Network Unveils Protein Mechanism from Time Resolved X-ray Crystallography	0
Squeezing Out Secrets: How Pressure Reveals Structural Dynamics Across Whole Proteomes	0
Exploring Validation of PDB Experimental Structures and Computed Structure Models at RCSB.org	0
Real-time Data Analysis with the LCLS-II Data System	0
Quasi-elastic neutron scattering reveals the relationship between the dynamical behavior of phospholipid headgroups and hydration water	0
Custom systems powered by MetalJet bringing synchrotron applications to the lab	0
Applications of visualization technology in the structural sciences	0
The Berkeley Center for Structural Biology at the Advanced Light Source	0
A Cryo-EM Method to Solve Small Nucleic Acid Structures	0
The C5α-Methyl Substituted Carbapenem NA-1-157 Inhibits the Class A Carbapenemase GES-5	0
Short range magnetic correlations in van der Waals 2D materials analyzed using neutron scattering	0
Cryo-EM Structures of Group II Intron Ribonucleoprotein Complexes	0
Abismal: Approximate Bayesian Inference for Scaling and Merging at Advanced Lightsources	0
Helicon: helical reconstruction from a single 2D image	0
Using the MATCH procedure in Oxford University’s Crystals for Windows software to search for phase transitions in twins	0
CryoEM milestones and future directions	0
#IAmRemarkable	0
Integrated edge-to-exascale workflow for real-time steering in neutron scattering experiments	0
Local magnetic correlations in ferrimagnetic semiconductor Mn3Si2Te6	0
Closing the Gap - Integrated Time-Resolved Crystallography at the SwissFEL and Swiss Light Source	0
Benchmarking tools to analyze conformational landscapes with cryo-EM	0
What crystal engineering can teach us about water treatment.	0
Mapping allosteric rewiring across a family of dynamic tyrosine phosphatases	0
Development and application of new methods in micro-crystal Electron Diffraction (microED)	0
STARS: Creating robust infrastructure to scale up structural biology programs for students	0
Recent Developments at SSRL BL4-2, a Beamline for Biological Small and Wide Angle X-ray Scattering	0
Defining and controlling protein allostery and nucleic acid sculpting	0
Utilizing small-angle X-ray microdiffraction to explore neurodegeneration in human brain tissue	0
Study of trioleoylglycerol two-layer and adiposome cross-section mimicking four-layer systems through atomic-level simulations	0
Visualization of transient states and molecular motions in the catalytic cycle of the proline catabolic bifunctional enzyme Proline Utilization A from kinetic crystallography and molecular dynamics si	0
Structural Studies of an F-plasmid Protein TraW	0
Streamlining OneDep Depositions of Multiple Related 3DEM Entries with pdb_extract	0
Fingerprinting the Water and Vacancy Sites in Superhydrous Hematite: Neutron Scattering and First Principles Studies	0
Laser-induced electron diffraction: Imaging of a single gas-phase molecular structure with one of its own electrons	0
Multi-Temperature Crystallography of Polyamine Biosynthesis Enzymes Reveals Differing Active Site Conformations at RT than 100K	0
Continuous symmetry measures: From point groups to space groups	0
Making X-ray crystallographic refinement accessible for non structural biologists	0
Topobexin Targets a Unique Druggable Pocket of Topoisomerase II for Beta Isoform- Selective Control of DNA Damage During Anthracycline Chemotherapy	0
Appraising protein conformational changes by resampling time-resolved serial x-ray crystallography data	0
The Cambridge Structural Database and structural dynamics	0
3D-ED: The potential and the problems with a step change for small-molecule single crystal structure determination	0
Combined Machine Learning and Exhaustive Symmetry Approach for Phase Transition Studies	0
Computing the human interactome	0
The PILATUS Story: The Rise of Hybrid Photon Counting Detectors for Efficient and Fast X-Ray Diffraction	0
Chemical effects on the dynamics of organic molecules irradiated with high intensity x rays	0
Distinguishing isotropic and anisotropic signals for X-ray scattering data using machine learning	0
Structural changes in Photosystem II using time-resolved X-ray free-electron (XFEL) crystallography and crystalline molecular dynamics.	0
Cryo-EM structural analysis of wild-type and ALS-related mutant SOD1 amyloid filaments	0
Structural and Dynamic Regulation of Reactive Intermediates in Cytochrome P450s	0
What can we learn from MD simulations of biomolecular crystals?	0
Automated vitrification with self-wicking grids may limit potential preferred orientation of CRL5-PCMTD1, a putative cullin-RING ligase, during cryoEM sample preparation	0
Developing operando neutron total scattering for battery research	0
Metabolic Enzymes Moonlighting as RNA Binding Proteins	0
Structural Basis of Human Astrovirus Entry via FcRn and Antibody Neutralization	0
Kilohertz droplet-on-demand serial femtosecond crystallography at the European XFEL station FXE	0
Neutron Protein Crystallography at Oak Ridge National Laboratory	0
Crystal engineering via mechanochemistry: Cocrystals, salts, and polymorphs	0
Advances in Microsecond Time-Resolved Cryo-EM	0
Leveraging Advances in Cryo Electron Microscopy to Facilitate Drug Discovery	0
High-repetition-rate ultrafast electron diffraction with direct electron detection	0
Revolutionizing Small Molecule Drug Discovery Pipelines with Cryo-EM: A Workflow for High-Throughput Screening and High-Resolution Data Collection	0
Smarter targeting for screening and data collection in Leginon	0
High energy electron diffraction instrument with tunable camera length	0
Improving Signal-to-Noise Ratio of Drug Fragment Screening with Variational Autoencoder	0
PDB-IHM: A System for Archiving and Dissemination of integrative structures	0