Molecular origin of drug release by water boiling inside carbon nanotubes from reactive molecular dynamics simulation and DFT perspectives
Author:
Publisher
Springer Science and Business Media LLC
Subject
Multidisciplinary
Link
http://www.nature.com/articles/s41598-017-04981-2.pdf
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3. Az’hari, S. & Ghayeb, Y. Effect of chirality, length and diameter of carbon nanotubes on the adsorption of 20 amino acids: a molecular dynamics simulation study. Mol Simul 40, 392–398 (2014).
4. Chaban, V. V., Savchenko, T. I., Kovalenko, S. M. & Prezhdo, O. V. Heat-driven release of a drug molecule from carbon nanotubes: a molecular dynamics study. J Phys Chem B 114, 13481–13486, doi: 10.1021/jp104507g (2010).
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