Molecular Dynamics Simulation of the Permeation of Lipid- Conjugated Peptides through the Stratum Corneum
This thesis presents a significant advance in selection of drug candidates for transdermal drug delivery. The methodology uses molecular dynamics simulations to understand the translocation of drug candidates across a model of the skin barrier, in atomistic detail. With this, researchers can predict...
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| Format: | Thesis |
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Curtin University
2021
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| Online Access: | http://hdl.handle.net/20.500.11937/87911 |
| Summary: | This thesis presents a significant advance in selection of drug candidates for transdermal drug delivery. The methodology uses molecular dynamics simulations to understand the translocation of drug candidates across a model of the skin barrier, in atomistic detail. With this, researchers can predict the translocation rate and efficiently shortlist the drug candidates before conducting costly laboratory-based trials. More importantly, predictions are made with high confidence due to the clarification of the molecular mechanism of translocation. |
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