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. 2018 Jun 5;30(1):128–138. doi: 10.1007/s13361-018-1984-0

Figure 7.

Figure 7

Solvent evaporation during electrospray ionisation results in collapse of the p50 dimer which is partially stabilised in the presence of DNA. Simulation of the evaporation process of the unbound (left) and DNA-bound (right) p50 dimer. Each data point represents the final CCS value calculated using either the projection approximation (PA, blue) or the exact hard sphere scattering (EHSS, red) model of a 2-ns run upon removing 10% of the solvent. Empty symbols correspond to CCS values of the final gas-phase simulation. Root mean square deviation (RMSD) values of each final structure are displayed (top). Green lines exemplify the experimentally determined TWCCSN2→He values (CCSexp), with two predominant conformers being defined for the DNA-bound p50 dimer