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...
| Main Author: | |
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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 |
| _version_ | 1848764949530148864 |
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| author | Ruiz Perez, Lanie |
| author_facet | Ruiz Perez, Lanie |
| author_sort | Ruiz Perez, Lanie |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T11:27:29Z |
| format | Thesis |
| id | curtin-20.500.11937-87911 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T11:27:29Z |
| publishDate | 2021 |
| publisher | Curtin University |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-879112024-03-27T03:00:47Z Molecular Dynamics Simulation of the Permeation of Lipid- Conjugated Peptides through the Stratum Corneum Ruiz Perez, Lanie 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. 2021 Thesis http://hdl.handle.net/20.500.11937/87911 Curtin University fulltext |
| spellingShingle | Ruiz Perez, Lanie Molecular Dynamics Simulation of the Permeation of Lipid- Conjugated Peptides through the Stratum Corneum |
| title | Molecular Dynamics Simulation of the Permeation of Lipid-
Conjugated Peptides through the Stratum Corneum |
| title_full | Molecular Dynamics Simulation of the Permeation of Lipid-
Conjugated Peptides through the Stratum Corneum |
| title_fullStr | Molecular Dynamics Simulation of the Permeation of Lipid-
Conjugated Peptides through the Stratum Corneum |
| title_full_unstemmed | Molecular Dynamics Simulation of the Permeation of Lipid-
Conjugated Peptides through the Stratum Corneum |
| title_short | Molecular Dynamics Simulation of the Permeation of Lipid-
Conjugated Peptides through the Stratum Corneum |
| title_sort | molecular dynamics simulation of the permeation of lipid-
conjugated peptides through the stratum corneum |
| url | http://hdl.handle.net/20.500.11937/87911 |