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Figure 2
Effect of heavy atoms on electronic damage in lysozyme. (a) Snapshots of the free-electron energy distribution for the light-atom control (blue), lysozyme in water (orange), lysozyme.Gd in 0.1 M Gd solvent (green) and the target of lysozyme.Gd in 0.1 M Gd 10% NaCl (Nass et al., 2020View full citation) (red). Inset plots show the distributions at the scale of the thermalized electrons. Snapshot times are denoted relative to the pulse's peak intensity (t = 0 fs). (b) Corresponding evolution of the average occupancy of the electron orbitals of carbon in the light-atom control (broken lines) and lysozyme.Gd (solid lines); the black dotted line traces the temporal pulse profile. Each simulation used a 15 fs FWHM Gaussian pulse with a fluence of 1.75 × 1012 7.112 keV photons µm−2.

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RADIATION
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