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Author

M. Provenzano

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Open access Jul 2026

Host–guest complexation of progesterone with β-cyclodextrin derivatives: hydration structure, binding thermodynamics, and loading pathways from molecular dynamics simulations

Results show that R2 functionalization strongly modulates both directional selectivity of guest entry and the free-energy landscape of encapsulation in progesterone encapsulation and may guide the rational design of CD-based delivery systems.

Faezeh Mobini, M. Provenzano, Nada Alghamdi et al. · 0 citations

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