Зміни

              
    

          
          
        
        

            
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  "name": 
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  "name": 
            
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s_solution_processed_6wtpercent_cbp_irppy2acac_with-choloroform_310k",
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s_solution_processed_6wtpercent_cbp_irppy2acac_with-choloroform_310k",
            
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  "notes": "A simulation of a 5wt% Ir(ppy)2(acac):CBP organic thinfilm 
17
  "notes": "A simulation of a 5wt% Ir(ppy)2(acac):CBP organic thinfilm 
            
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that is being formed by solvent evaporation. The solvent used is 
18
that is being formed by solvent evaporation. The solvent used is 
            
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chloroform. All 11 files are from different stages of the evaporation 
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chloroform. All 11 files are from different stages of the evaporation 
            
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from the start of the simulation to the dried film.",
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from the start of the simulation to the dried film.",
            
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  "num_resources": 95,
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  "organization": {
            
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    "approval_status": "approved",
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    "approval_status": "approved",
            
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    "created": "2018-08-22T23:34:31.662568",
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    "created": "2018-08-22T23:34:31.662568",
            
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    "description": "The group focuses on understanding and predicting 
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    "description": "The group focuses on understanding and predicting 
            
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the macroscopic (experimentally observable) properties of biomolecular 
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the macroscopic (experimentally observable) properties of biomolecular 
            
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systems such as proteins, nucleic acids and lipid aggregates, in terms 
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systems such as proteins, nucleic acids and lipid aggregates, in terms 
            
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of the interactions between atoms. In particular, our work 
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of the interactions between atoms. In particular, our work 
            
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concentrates on the development of tools (i.e. simulation software, 
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concentrates on the development of tools (i.e. simulation software, 
            
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atomic force fields, theoretical models and experimental techniques) 
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atomic force fields, theoretical models and experimental techniques) 
            
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that can be used to understand and predict the physico-chemical basis 
32
that can be used to understand and predict the physico-chemical basis 
            
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of interactions and dynamic processes within biomolecular systems. 
33
of interactions and dynamic processes within biomolecular systems. 
            
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Specific areas of interest include structure prediction, protein and 
34
Specific areas of interest include structure prediction, protein and 
            
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peptide folding, the self-assembly of protein/lipid complexes and the 
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peptide folding, the self-assembly of protein/lipid complexes and the 
            
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calculation of thermodynamic properties such as ligand binding 
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calculation of thermodynamic properties such as ligand binding 
            
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affinities.\r\n\r\n(Image created by Dr D. Poger)",
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affinities.\r\n\r\n(Image created by Dr D. Poger)",
            
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    "title": "Molecular Dynamics Group UQ",
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    "title": "Molecular Dynamics Group UQ",
            
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2483
      "vocabulary_id": null
2483
      "vocabulary_id": null
            
2484
    },
2484
    },
            
2485
    {
2485
    {
            
2486
      "display_name": "solvent evaporation",
2486
      "display_name": "solvent evaporation",
            
2487
      "id": "f1fca7b7-cc04-4036-a2f8-3227e6cbc5c4",
2487
      "id": "f1fca7b7-cc04-4036-a2f8-3227e6cbc5c4",
            
2488
      "name": "solvent evaporation",
2488
      "name": "solvent evaporation",
            
2489
      "state": "active",
2489
      "state": "active",
            
2490
      "vocabulary_id": null
2490
      "vocabulary_id": null
            
2491
    },
2491
    },
            
2492
    {
2492
    {
            
2493
      "display_name": "thermostat is Berendsen",
2493
      "display_name": "thermostat is Berendsen",
            
2494
      "id": "4fb82905-f20b-444e-9ba9-93e5d793c273",
2494
      "id": "4fb82905-f20b-444e-9ba9-93e5d793c273",
            
2495
      "name": "thermostat is Berendsen",
2495
      "name": "thermostat is Berendsen",
            
2496
      "state": "active",
2496
      "state": "active",
            
2497
      "vocabulary_id": null
2497
      "vocabulary_id": null
            
2498
    }
2498
    }
            
2499
  ],
2499
  ],
            
2500
  "title": "Solution Processed 5wt% Ir(ppy)2(acac):CBP organic 
2500
  "title": "Solution Processed 5wt% Ir(ppy)2(acac):CBP organic 
            
2501
thinfilm",
2501
thinfilm",
            
2502
  "type": "dataset",
2502
  "type": "dataset",
            
2503
  "url": null,
2503
  "url": null,
            
2504
  "version": null
2504
  "version": null
            
2505
}
2505
}