Publications in International Journals / Series (Article (International))

The effects of solvent composition on the affinity of a peptide towards hair keratin: experimental and molecular dynamics data

  • RSC Advances, 5(16), 12365-12371, 2015

Publisher: The Royal Society of Chemistry


The study of the interaction between hair filaments and formulations or peptides is of utmost importance in fields like cosmetic research. Keratin intermediate filaments structure is not fully described, limiting the molecular dynamics (MD) studies in this field although its high potential to improve the area. We developed a computational model of a truncated protofibril, simulated its behavior in alcoholic based formulations and with one peptide. The simulations showed a strong interaction between the benzyl alcohol molecules of the formulations and the model, leading to the disorganization o ...

CEB Authors



ISI Web of Science® Citations: 4


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