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Abstract
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The (1 1 0) facet of TiO2 nanosheet was used as drug carrier to deliver the RNA aptamer using molecular dynamics simulation. The molecular simulations had been performed using NAMD. We have measured energetic and structural parameters. The centre of mass of receptor and aptamer, the RMSF, RMSD and DSSP of protein and the attractive forces were computed. We had considered the water molecules effect along the adsorption. Results show that aptamer can interact with receptor in the absence and also presence of TiO2 nanosheet. Besides, the superior interaction between receptor and aptamer was observed when aptamer detached from nanosheet.
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