Moving beyond static snapshots: Protein dynamics and the Protein Data Bank
MD Miller, GN Phillips - Journal of Biological Chemistry, 2021 - ASBMB
Proteins are the molecular machines of living systems. Their dynamics are an intrinsic part of
their evolutionary selection in carrying out their biological functions. Although the dynamics …
their evolutionary selection in carrying out their biological functions. Although the dynamics …
High-fluence and high-gain multilayer focusing optics to enhance spatial resolution in femtosecond X-ray laser imaging
With the emergence of X-ray free-electron lasers (XFELs), coherent diffractive imaging (CDI)
has acquired a capability for single-particle imaging (SPI) of non-crystalline objects under …
has acquired a capability for single-particle imaging (SPI) of non-crystalline objects under …
Machine-learning calibration of intense x-ray free-electron-laser pulses using Bayesian optimization
X-ray free-electron lasers (XFELs) have brought new ways to probe and manipulate atomic
and molecular dynamics with unprecedented spatial and temporal resolutions. A …
and molecular dynamics with unprecedented spatial and temporal resolutions. A …
Classification of diffraction patterns in single particle imaging experiments performed at x-ray free-electron lasers using a convolutional neural network
A Ignatenko, D Assalauova, SA Bobkov… - Machine Learning …, 2021 - iopscience.iop.org
Single particle imaging (SPI) is a promising method of native structure determination, which
has undergone fast progress with the development of x-ray free-electron lasers. Large …
has undergone fast progress with the development of x-ray free-electron lasers. Large …
[PDF][PDF] Classification of diffraction patterns using a convolutional neural network in single-particle-imaging experiments performed at X-ray free-electron lasers
D Assalauova, A Ignatenko, F Isensee… - Journal of applied …, 2022 - journals.iucr.org
Single particle imaging (SPI) at X-ray free-electron lasers is particularly well suited to
determining the 3D structure of particles at room temperature. For a successful …
determining the 3D structure of particles at room temperature. For a successful …
[HTML][HTML] A predicted model-aided reconstruction algorithm for X-ray free-electron laser single-particle imaging
Z Jiao, Y He, X Fu, X Zhang, Z Geng, W Ding - IUCrJ, 2024 - journals.iucr.org
Ultra-intense, ultra-fast X-ray free-electron lasers (XFELs) enable the imaging of single
protein molecules under ambient temperature and pressure. A crucial aspect of structure …
protein molecules under ambient temperature and pressure. A crucial aspect of structure …
[PDF][PDF] Skopi: a simulation package for diffractive imaging of noncrystalline biomolecules
A Peck, HY Chang, A Dujardin… - Journal of Applied …, 2022 - journals.iucr.org
X-ray free-electron lasers (XFELs) have the ability to produce ultra-bright femtosecond X-ray
pulses for coherent diffraction imaging of biomolecules. While the development of methods …
pulses for coherent diffraction imaging of biomolecules. While the development of methods …
Theoretical investigation of orbital alignment of x-ray-ionized atoms in exotic electronic configurations
L Budewig, SK Son, R Santra - Physical Review A, 2022 - APS
We theoretically study orbital alignment in x-ray-ionized atoms and ions, based on improved
electronic-structure calculations starting from the Hartree-Fock-Slater model. We employ first …
electronic-structure calculations starting from the Hartree-Fock-Slater model. We employ first …
[PDF][PDF] Statistical analysis of hard X-ray radiation at the PAL-XFEL facility performed by Hanbury Brown and Twiss interferometry
YY Kim, R Khubbutdinov, J Carnis, S Kim… - Journal of …, 2022 - journals.iucr.org
A Hanbury Brown and Twiss interferometry experiment based on second-order correlations
was performed at the PAL-XFEL facility. The statistical properties of the X-ray radiation were …
was performed at the PAL-XFEL facility. The statistical properties of the X-ray radiation were …
[HTML][HTML] High spatial coherence and short pulse duration revealed by the Hanbury Brown and Twiss interferometry at the European XFEL
R Khubbutdinov, N Gerasimova, G Mercurio… - Structural …, 2021 - pubs.aip.org
Second-order intensity interferometry was employed to study the spatial and temporal
properties of the European X-ray Free-Electron Laser (EuXFEL). Measurements were …
properties of the European X-ray Free-Electron Laser (EuXFEL). Measurements were …