Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses

K Nass, A Gorel, MM Abdullah, A V. Martin… - Nature …, 2020 - nature.com
X-ray free-electron lasers (XFELs) enable crystallographic structure determination beyond
the limitations imposed upon synchrotron measurements by radiation damage. The need for …

Hybrid plasma/molecular-dynamics approach for efficient XFEL radiation damage simulations

A Kozlov, AV Martin, HM Quiney - Crystals, 2020 - mdpi.com
X-ray free-electron laser pulses initiate a complex series of changes to the electronic and
nuclear structure of matter on femtosecond timescales. These damage processes include …

Effect of radiation damage and illumination variability on signal-to-noise ratio in X-ray free-electron laser single-particle imaging

TE Gureyev, A Kozlov, AJ Morgan… - … A: Foundations and …, 2020 - journals.iucr.org
The deterioration of both the signal-to-noise ratio and the spatial resolution in the electron-
density distribution reconstructed from diffraction intensities collected at different orientations …

[PDF][PDF] Recovery of undamaged electron-density maps in the presence of damage-induced partial coherence in single-particle imaging

A Kozlov, TE Gureyev, DM Paganin, AV Martin… - IUCrJ, 2020 - journals.iucr.org
Resolving the electronic structure of single biological molecules in their native state was
among the primary motivations behind X-ray free-electron lasers. The ultra-short pulses they …