The three hair model systems (i.e. virgin hair, lightly damaged, and moderately damaged) as well as additional corresponding systems containing stearic and palmitic acid adsorbed to its surfaces were submitted to the same equilibration protocol outlined in Section 2.2.1. Each of the resulting structures was then submitted to a production MD simulation in the NVT ensemble for 1 μs at 300 K with a 2.0 fs time step