Зміни

              
    

          
          
        
        

            
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  "name": 
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  "name": 
            
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water-diffusion_cbp_irppy2acac_vacuum-deposited-thinfilm_replicate-1",
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water-diffusion_cbp_irppy2acac_vacuum-deposited-thinfilm_replicate-1",
            
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  "notes": "20 water molecules were inserted at random positions 
17
  "notes": "20 water molecules were inserted at random positions 
            
18
within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed 
18
within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed 
            
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to diffuse (replicate 1 of 3).",
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to diffuse (replicate 1 of 3).",
            
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  "num_resources": 98,
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  "num_resources": 99,
            
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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 
26
the macroscopic (experimentally observable) properties of biomolecular 
            
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systems such as proteins, nucleic acids and lipid aggregates, in terms 
27
systems such as proteins, nucleic acids and lipid aggregates, in terms 
            
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of the interactions between atoms. In particular, our work 
28
of the interactions between atoms. In particular, our work 
            
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concentrates on the development of tools (i.e. simulation software, 
29
concentrates on the development of tools (i.e. simulation software, 
            
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atomic force fields, theoretical models and experimental techniques) 
30
atomic force fields, theoretical models and experimental techniques) 
            
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that can be used to understand and predict the physico-chemical basis 
31
that can be used to understand and predict the physico-chemical basis 
            
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of interactions and dynamic processes within biomolecular systems. 
32
of interactions and dynamic processes within biomolecular systems. 
            
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Specific areas of interest include structure prediction, protein and 
33
Specific areas of interest include structure prediction, protein and 
            
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peptide folding, the self-assembly of protein/lipid complexes and the 
34
peptide folding, the self-assembly of protein/lipid complexes and the 
            
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calculation of thermodynamic properties such as ligand binding 
35
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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    "state": "active",
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    "state": "active",
            
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    "title": "Molecular Dynamics Group UQ",
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    "title": "Molecular Dynamics Group UQ",
            
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    "type": "organization"
            
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      "id": "90e84e01-ff56-4904-a821-3728b3ab6df0",
            
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      "name": "vacuum deposited",
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      "name": "vacuum deposited",
            
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      "state": "active",
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      "state": "active",
            
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  "title": "Water diffusion in a vacuum deposited 6wt% 
2607
  "title": "Water diffusion in a vacuum deposited 6wt% 
            
2584
Ir(ppy)2(acac):CBP organic thinfilm (replicate 1 of 3)",
2608
Ir(ppy)2(acac):CBP organic thinfilm (replicate 1 of 3)",
            
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}
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}