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Molecular modeling of layered double hydroxide nanoparticles for drug delivery

Murthy, Vinuthaa, Xu, Zhi Ping and Smith, Sean C. (2015). Molecular modeling of layered double hydroxide nanoparticles for drug delivery. In Computational pharmaceutics : application of molecular modeling in drug delivery. Chichester, West Sussex: John Wiley & Sons. (pp. 197-216).

Document type: Book Chapter
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IRMA ID 84377429xPUB43
Author Murthy, Vinuthaa
Xu, Zhi Ping
Smith, Sean C.
Title of Chapter Molecular modeling of layered double hydroxide nanoparticles for drug delivery
Title of Book Computational pharmaceutics : application of molecular modeling in drug delivery
Place of Publication Chichester, West Sussex
Publisher John Wiley & Sons
Publication Year 2015
Series Advances in pharmaceutical technology
ISBN 9781118573990   (check CDU catalogue open catalogue search in new window)
Chapter Number 10
Start Page 197
End Page 216
Total Pages 20
Field of Research 1115 - Pharmacology and Pharmaceutical Sciences
HERDC Category B - Book Chapter (DIISR)
Abstract This chapter provides an insight into the different computational methodologies used to study the properties and stability of Layered double hydroxides (LDH) intercalated with different types of anions. It summarizes the molecular modeling approaches taken to understand the interaction of LDHs with four different types of intercalates. All the four modeling studies show that the combination of experimental work and molecular dynamics modeling approaches are highly effective in examining the structure and dynamics of ionic and molecular species in the interlayers of the LDH material. The CLAYFF force field used in all four simulations (in combination with other force fields for intercalates) produces results that are in good agreement with experimentally measured PXRD and vibrational spectra for LDH. Molecular modeling simulation provides further evidence that LDH material can be used as an effective drug delivery material for small molecules up to large biomolecules
DOI http://dx.doi.org/10.1002/9781118573983.ch10   (check subscription with CDU E-Gateway service for CDU Staff and Students  check subscription with CDU E-Gateway in new window)
Description for Link Link to publisher site
URL http://au.wiley.com/WileyCDA/WileyTitle/productCd-1118573994.html
 
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