Published February 6, 2025
| Version v1
Dataset
Open
Dataset for Graphene Functionalization towards Biodegradability of Graphene as Drug Carrier
Authors/Creators
- Bahmani, Mohsen (Researcher)1
-
Gholami, Asma
(Researcher)2
- Gghaeidamini, Marziyeh (Researcher)1
-
Cao, Zhejian
(Researcher)1
- Gharib-Zahedi, Mohammad Reza (Researcher)2
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Sanpui, Pallab
(Researcher)3
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Esbjörner, Elin
(Researcher)1
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Eriksson, Leif A.
(Supervisor)2
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Mijakovic, Ivan
(Supervisor)1
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Rahimi, Shadi
(Supervisor)1
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1.
Chalmers University of Technology
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2.
University of Gothenburg
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3.
Birla Institute of Technology and Science, Pilani - Dubai Campus
Description
The tar file comtains the following information on graphene oxide (GO) and its conjugates with polyethylene glycol (PEG) and polyethylene imine (PEI):
- PDB format coordinates of graphene oxide (GO) and its conjugates.
- System setup for the different systems.
- Disordered system trajectories for graphene oxide (GO) and conjugates in presence of HOCl.
- Excel data sheet with energy calculations for the above systems.
Files
Files
(115.2 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:b90d70b96a309294f1f5abf6a534e8af
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115.2 MB | Download |