most citedMolDStruct: modelling the dynamics and structure of matter exposed to ultrafast X-ray lasers with hybrid collisional-radiative/molecular dynamics

9 citations · 19 across the 5 of their papers we have counts for

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physics.bio-ph2026

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…

physics.bio-ph2026

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…