Data for: "A multifunctional drug delivery system based on switchable peptide-stabilized emulsions" ...
Coarse-grained molecular dynamics data associated with peptide emulsions (CGMD.tar.gz), all-atom molecular dynamics simulation data associated with dihedral measurements with and without the presence of ions (All-Atom.tar.gz) and DFT data for peptide - ion binding (DFT.tar.gz). Coarse-grained and al...
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University of Strathclyde
2024
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| Online Access: | https://dx.doi.org/10.15129/edc06de3-4e78-4721-ba8d-1d81a748f1ff https://pureportal.strath.ac.uk/en/datasets/edc06de3-4e78-4721-ba8d-1d81a748f1ff |
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ftdatacite:10.15129/edc06de3-4e78-4721-ba8d-1d81a748f1ff |
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openpolar |
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ftdatacite:10.15129/edc06de3-4e78-4721-ba8d-1d81a748f1ff 2024-03-31T07:54:50+00:00 Data for: "A multifunctional drug delivery system based on switchable peptide-stabilized emulsions" ... Boas, Daniel van Teijlingen, Alexander Shpilt, Zohar 2024 application/x-gzip https://dx.doi.org/10.15129/edc06de3-4e78-4721-ba8d-1d81a748f1ff https://pureportal.strath.ac.uk/en/datasets/edc06de3-4e78-4721-ba8d-1d81a748f1ff unknown University of Strathclyde Creative Commons Attribution 4.0 International Creative Commons Attribution 4.0 International Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 DFT coarse-grained molecular dynamics Molecular dynamic MD simulation peptide emulsions dataset Dataset 2024 ftdatacite https://doi.org/10.15129/edc06de3-4e78-4721-ba8d-1d81a748f1ff 2024-03-04T14:01:54Z Coarse-grained molecular dynamics data associated with peptide emulsions (CGMD.tar.gz), all-atom molecular dynamics simulation data associated with dihedral measurements with and without the presence of ions (All-Atom.tar.gz) and DFT data for peptide - ion binding (DFT.tar.gz). Coarse-grained and all-atom molecular dynamics were created using the GROMACS software with the MARTINI and AMBER forcefields package while DFT data was obtained at wB97X/def2-TZVP level of theory using the ORCA software package. ... Dataset Orca DataCite Metadata Store (German National Library of Science and Technology) |
| institution |
Open Polar |
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DataCite Metadata Store (German National Library of Science and Technology) |
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ftdatacite |
| language |
unknown |
| topic |
DFT coarse-grained molecular dynamics Molecular dynamic MD simulation peptide emulsions |
| spellingShingle |
DFT coarse-grained molecular dynamics Molecular dynamic MD simulation peptide emulsions Boas, Daniel van Teijlingen, Alexander Shpilt, Zohar Data for: "A multifunctional drug delivery system based on switchable peptide-stabilized emulsions" ... |
| topic_facet |
DFT coarse-grained molecular dynamics Molecular dynamic MD simulation peptide emulsions |
| description |
Coarse-grained molecular dynamics data associated with peptide emulsions (CGMD.tar.gz), all-atom molecular dynamics simulation data associated with dihedral measurements with and without the presence of ions (All-Atom.tar.gz) and DFT data for peptide - ion binding (DFT.tar.gz). Coarse-grained and all-atom molecular dynamics were created using the GROMACS software with the MARTINI and AMBER forcefields package while DFT data was obtained at wB97X/def2-TZVP level of theory using the ORCA software package. ... |
| format |
Dataset |
| author |
Boas, Daniel van Teijlingen, Alexander Shpilt, Zohar |
| author_facet |
Boas, Daniel van Teijlingen, Alexander Shpilt, Zohar |
| author_sort |
Boas, Daniel |
| title |
Data for: "A multifunctional drug delivery system based on switchable peptide-stabilized emulsions" ... |
| title_short |
Data for: "A multifunctional drug delivery system based on switchable peptide-stabilized emulsions" ... |
| title_full |
Data for: "A multifunctional drug delivery system based on switchable peptide-stabilized emulsions" ... |
| title_fullStr |
Data for: "A multifunctional drug delivery system based on switchable peptide-stabilized emulsions" ... |
| title_full_unstemmed |
Data for: "A multifunctional drug delivery system based on switchable peptide-stabilized emulsions" ... |
| title_sort |
data for: "a multifunctional drug delivery system based on switchable peptide-stabilized emulsions" ... |
| publisher |
University of Strathclyde |
| publishDate |
2024 |
| url |
https://dx.doi.org/10.15129/edc06de3-4e78-4721-ba8d-1d81a748f1ff https://pureportal.strath.ac.uk/en/datasets/edc06de3-4e78-4721-ba8d-1d81a748f1ff |
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Orca |
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Orca |
| op_rights |
Creative Commons Attribution 4.0 International Creative Commons Attribution 4.0 International Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 |
| op_doi |
https://doi.org/10.15129/edc06de3-4e78-4721-ba8d-1d81a748f1ff |
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1795036097179287552 |