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Effects of hydroxyapatite (0001) Ca2+/Mg2+ substitution on adsorbed d-ribose ring puckering

Revilla-López, Guillem ; Bertran, Oscar ; Casanovas, Jordi ; Turon, Pau ; Puiggalí, Jordi ; Alemán, Carlos


Advanced Molecular Dynamics (MD) simulation protocols have been used to assess the ring puckering of cyclic D-ribose when the sugar is adsorbed on the most stable (0001) facet of calcium hydroxyapatite (HAp). In addition, sugar(...)mineral interactions, which are crucial for transfection processes and prebiotic chemistry, have been studied for systems in which the Ca2+ ions of the above mentioned ...


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