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Perspectives: artificial intelligence and dermatological peptide design Generative AI tools (AlphaFold 3, RFdiffusion, ESM-3) are transforming the design of new dermatological peptides: De novo design of peptides binding to specific cutaneous receptors (EGFR, FGFR, MC1R) Cutaneous penetration prediction by QSAR/ML models integrating physicochemical properties Multiparametric optimisation : stability, solubility, activity, non-toxicity treated simultaneously Virtual peptide libraries computationally screened before real SPPS synthesis For an academic laboratory, these approaches reduce the number of peptides to physically synthesise by several orders of magnitude

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doi: 10.3389/fendo.2021.678055 18 de GraafCDonnellyDWoottenDLauJSextonPMMillerLJet al