9 citations · 19 across the 5 of their papers we have counts for
6 papers
Protein eXplosion Imaging (PXI): Protein Structures from Laser-Driven Explosions
Alfredo Bellisario, Tomas André, Carl Caleman +1
We investigate the structural information retained in the distribution of explosion ion trajectories from proteins subjected to strong ionization. Using molecular-dynamics simulati…
MolDStruct: benchmarking a hybrid Monte Carlo/Molecular Dynamics model for X-ray free-electron laser ionisation and fragmentation dynamics
Friederike Krüger, Simon Liljeblad, Sebastian Cardoch +6
Single Particle Imaging with intense X-ray free-electron laser pulses requires modelling of the resulting ionisation and Coulomb explosion dynamics of biomolecules to optimise expe…
Orientation Reconstruction of Proteins using Coulomb Explosions
Tomas André, Alfredo Bellisario, Nicusor Timneanu +1
We solve the orientation recovery of a tumbling protein in the gas phase from single-event measurements of the spatial positions of its ions after an X-ray laser induced explosion.…
Partial Orientation Retrieval of Proteins From Coulomb Explosions
Tomas André, Emiliano De Santis, Nicusor Timneanu +1
Single Particle Imaging techniques at X-ray lasers have made significant strides, yet the challenge of determining the orientation of freely rotating molecules during delivery rema…
Protein structure classification based on X-ray laser induced Coulomb explosion
Tomas André, Ibrahim Dawod, Sebastian Cardoch +3
We simulated the Coulomb explosion dynamics due to the fast ionization induced by high-intensity X-rays in six proteins that share similar atomic content and shape. We followed and…
MolDStruct: modelling the dynamics and structure of matter exposed to ultrafast X-ray lasers with hybrid collisional-radiative/molecular dynamics
Ibrahim Dawod, Sebastian Cardoch, Tomas André +5
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…