“…ESI droplets produced at the Taylor cone undergo evaporation and fission events, culminating in nanometer-sized progeny droplets . Size limitations dictate that MD simulations can only probe these final nanodroplets, while earlier stages of the process are inaccessible. ,,,− , As a result, the exact atomistic history of ESI nanodroplets is unknown, and one has to make certain assumptions regarding their properties. One of these factors is the initial analyte position within the nanodroplet.…”