[PDF][PDF] Radiation damage in protein crystallography at X-ray free-electron lasers

K Nass - Acta Crystallographica Section D: Structural Biology, 2019 - journals.iucr.org
Radiation damage is still the most limiting factor in obtaining high-resolution structures of
macromolecules in crystallographic experiments at synchrotrons. With the advent of X-ray …

Indications of radiation damage in ferredoxin microcrystals using high-intensity X-FEL beams

K Nass, L Foucar, TRM Barends… - Journal of …, 2015 - journals.iucr.org
Proteins that contain metal cofactors are expected to be highly radiation sensitive since the
degree of X-ray absorption correlates with the presence of high-atomic-number elements …

Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser

C Gati, D Oberthuer, O Yefanov… - Proceedings of the …, 2017 - National Acad Sciences
To understand how molecules function in biological systems, new methods are required to
obtain atomic resolution structures from biological material under physiological conditions …

Ultrafast nonthermal heating of water initiated by an X-ray Free-Electron Laser

KR Beyerlein, HO Jönsson… - Proceedings of the …, 2018 - National Acad Sciences
The bright ultrafast pulses of X-ray Free-Electron Lasers allow investigation into the structure
of matter under extreme conditions. We have used single pulses to ionize and probe water …

Atomistic and macroscopic characterization of nanoscale thin film liquid-vapor phase change phenomena

MM Alam, MSH Thakur, M Islam, MN Hasan… - International Journal of …, 2021 - Elsevier
Phase change characteristics of thin film liquid argon subjected to ultrafast boundary heating
for different liquid film thicknesses (3 nm~ 6 nm), boundary heating rates (8× 10 9 K/s~ 320× …

[HTML][HTML] MolDStruct: Modeling the dynamics and structure of matter exposed to ultrafast x-ray lasers with hybrid collisional-radiative/molecular dynamics

I Dawod, S Cardoch, T André, E De Santis… - The Journal of …, 2024 - pubs.aip.org
We describe a method to compute photon–matter interaction and atomic dynamics with x-ray
lasers using a hybrid code based on classical molecular dynamics and collisional-radiative …

Detecting anomalies in X-ray diffraction images using convolutional neural networks

A Czyzewski, F Krawiec, D Brzezinski… - Expert systems with …, 2021 - Elsevier
Our understanding of life is based upon the interpretation of macromolecular structures and
their dynamics. Almost 90% of currently known macromolecular models originated from …

[HTML][HTML] Is radiation damage the limiting factor in high-resolution single particle imaging with X-ray free-electron lasers?

C Östlin, N Timneanu, C Caleman, AV Martin - Structural Dynamics, 2019 - pubs.aip.org
The prospect of single particle imaging with atomic resolution is one of the scientific drivers
for the development of X-ray free-electron lasers. The assumption since the beginning has …

A molecular dynamics study on thin film phase change characteristics over nano-porous surfaces with hybrid wetting conditions

AK Hossain, MN Miah, MN Hasan - International Communications in Heat …, 2024 - Elsevier
Liquid-vapor phase change characteristics over nanoporous substrates with different
surface morphologies as well as wettability variations have been investigated in the present …

[HTML][HTML] Electronic damage in S atoms in a native protein crystal induced by an intense X-ray free-electron laser pulse

L Galli, SK Son, M Klinge, S Bajt, A Barty, R Bean… - Structural …, 2015 - pubs.aip.org
Current hard X-ray free-electron laser (XFEL) sources can deliver doses to biological
macromolecules well exceeding 1 GGy, in timescales of a few tens of femtoseconds. During …