[HTML][HTML] Structural biology in the age of X-ray free-electron lasers and exascale computing

S Mous, F Poitevin, MS Hunter, DN Asthagiri… - Current Opinion in …, 2024 - Elsevier
Serial femtosecond X-ray crystallography has emerged as a powerful method for
investigating biomolecular structure and dynamics. With the new generation of X-ray free …

Conditional guided generative diffusion for particle accelerator beam diagnostics

A Scheinker - Scientific Reports, 2024 - nature.com
Advanced accelerator-based light sources such as free electron lasers (FEL) accelerate
highly relativistic electron beams to generate incredibly short (10s of femtoseconds) …

High-Performance Molecular Dynamics Simulations for Native Mass Spectrometry of Large Protein Complexes with the Fast Multipole Method

LJ Persson, C Sahin, M Landreh… - Analytical …, 2024 - ACS Publications
Native mass spectrometry (MS) is widely employed to study the structures and assemblies of
proteins ranging from small monomers to megadalton complexes. Molecular dynamics (MD) …

[PDF][PDF] The beam transport system for the Small Quantum Systems instrument at the European XFEL: optical layout and first commissioning results

T Mazza, TM Baumann, R Boll, A De Fanis… - Journal of …, 2023 - journals.iucr.org
The Small Quantum Systems instrument is one of the six operating instruments of the
European XFEL, dedicated to the atomic, molecular and cluster physics communities. The …

Toward “super-scintillation” with nanomaterials and nanophotonics

H Carr Delgado, P Moradifar, G Chinn, CS Levin… - …, 2024 - degruyter.com
Following the discovery of X-rays, scintillators are commonly used as high-energy radiation
sensors in diagnostic medical imaging, high-energy physics, astrophysics, environmental …

Three-dimensional femtosecond snapshots of isolated faceted nanostructures

A Colombo, S Dold, P Kolb, N Bernhardt, P Behrens… - Science …, 2023 - science.org
The structure and dynamics of isolated nanosamples in free flight can be directly visualized
via single-shot coherent diffractive imaging using the intense and short pulses of x-ray free …

[HTML][HTML] Enhanced EMC—Advantages of partially known orientations in x-ray single particle imaging

A Wollter, E De Santis, T Ekeberg… - The Journal of …, 2024 - pubs.aip.org
Single particle imaging of proteins in the gas phase with x-ray free-electron lasers holds
great potential to study fast protein dynamics, but is currently limited by weak and noisy data …

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 …

Multiple-core-hole resonance spectroscopy with ultraintense X-ray pulses

A Rörig, SK Son, T Mazza, P Schmidt… - Nature …, 2023 - nature.com
Understanding the interaction of intense, femtosecond X-ray pulses with heavy atoms is
crucial for gaining insights into the structure and dynamics of matter. One key aspect of …

Multichannel measurements of C. elegans largest Lyapunov exponents using optical diffraction

RF Zanetti, KL Canavan, SG Zhang, J Magnes - Applied Optics, 2023 - opg.optica.org
Dynamic diffraction (DOD) is a form of microscopy that allows the dynamic tracking of
changing shapes in a 1D time series. DOD can capture the locomotion of a nematode while …