Metal-Organic Frameworks as drug delivery systems: The case of IRMOF-74-III and gemcitabine studied by MD simulations
Data and Resources
This dataset has no data
Additional Info
Field | Value |
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Source | http://hdl.handle.net/21.15102/VISEEM-116 |
Author | Zoe Cournia, Ioannis Galdadas |
Last Updated | May 18, 2024, 14:41 (Europe/Sofia) |
Created | May 9, 2017, 14:39 (Europe/Sofia) |
collection | MD Simulations |
description | This dataset contains Molecular Dynamics simulations trajectories of the drug gemcitabine inside the pores of Metal-Organic FrameworksIRMOF-74-III and the functionalized OH-IRMOF-74-III. The input and output files are in GROMACS format. The available dataset is presented in the publication: Multiscale simulations reveal IRMOF-74-III as a potent drug carrier for gemcitabine delivery, Kotzabasaki M, Galdadas I, Tylianakis E, Klontza E, Cournia Z, Froudakis G., J Mater Chem B, Just accepted, http://dx.doi.org/10.1039/C7TB00220C |
modified | 2017-07-19 15:21:25.925 |
rights | |
rights_url | |
sponsorship | VI-SEEM |
subject | cancer, gemcitabine, Molecular Dynamics simulations, MOF, GROMACS, drug |