After running MD calculations of each of the proposed damaged hair models, we compared the separation distances of the 18-MEA molecules using RDF plots similar to what was done for the virgin hair model (Supplementary Figure ). The shapes of the distributions vary, but the average separation distances, given by the first peak of the RDFs, stayed approximately constant relative to that of the virgin hair surface model, as expected due to constraints imposed by the cross-linked substrate. We observe a higher magnitude of the RDFs by the systems in vacuum compared to the systems solvated in water. As illustrated in Figure , in the presence of water, clusters of 18-MEA and fatty acids (where applicable) aggregate on the surface in order to minimize total surface area in contact with water at the cost of lowering total surface area in contact with other 18-MEA molecules.