Ab initio Investigation of Adsorption Characteristics of Bisphosphonates on Hydroxyapatite (001) Surface
The structures of some bisphosphonates (clodronate, etidronate, pamidronate, alendronate, risedronate, zoledronate, minodronate) were obtained and analyzed, and their adsorption energies onto hydroxyapatite (001) surface were compared to find out ranking order of binding affinity, which shows that t...
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| Zusammenfassung: | The structures of some bisphosphonates (clodronate, etidronate, pamidronate,
alendronate, risedronate, zoledronate, minodronate) were obtained and analyzed,
and their adsorption energies onto hydroxyapatite (001) surface were compared
to find out ranking order of binding affinity, which shows that the adsorption
energy is the largest for pamidronate, followed by alendronate, zoledronate,
clodronate, ibandronate, the lowest for minodronate and etidronate. |
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| DOI: | 10.48550/arxiv.1604.07489 |