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For very high shear rates beyond 108 s-1, nucleation is strongly inhibited. Our results indicate that the optimal shear rates have a non-monotonic dependence on temperature.The reliability of molecular mechanics (MM) simulations in describing biomolecular ion-driven processes depends on their ability to accurately model interactions of ions simultaneously with water and other biochemical groups. In these models, ion descriptors are calibrated against reference data on ion-water interactions, and it is then assumed that these descriptors
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