Figure 3. Comparison of the width of the collision cross section distribution observed experimentally and computationally. The floating bars show the conformational width measured at 10, 100 and 200 mM ammonium acetate for each p27 permutant as well as the range of computed CCSs from previous Monte Carlo simulations¹³ (MC) and charge permutation molecular dynamics (MD) simulations. The CCSD range predicted using the framework method is available upon hovering over individual bars.¹⁶

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