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             | xygen-diffusion_cbp_irppy2acac_vacuum-deposited-thinfilm_replicate-2", |  | xygen-diffusion_cbp_irppy2acac_vacuum-deposited-thinfilm_replicate-2", | 
            | n |   "notes": null, | n |   "notes": "20 oxygen molecules were inserted at random positions  | 
             |  |  | within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed  | 
             |  |  | to diffuse (replicate 2 of 3).", | 
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             |   "organization": { |  |   "organization": { | 
             |     "approval_status": "approved", |  |     "approval_status": "approved", | 
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             |     "description": "The group focuses on understanding and predicting  |  |     "description": "The group focuses on understanding and predicting  | 
             | the macroscopic (experimentally observable) properties of biomolecular  |  | the macroscopic (experimentally observable) properties of biomolecular  | 
             | systems such as proteins, nucleic acids and lipid aggregates, in terms  |  | systems such as proteins, nucleic acids and lipid aggregates, in terms  | 
             | of the interactions between atoms. In particular, our work  |  | of the interactions between atoms. In particular, our work  | 
             | concentrates on the development of tools (i.e. simulation software,  |  | concentrates on the development of tools (i.e. simulation software,  | 
             | atomic force fields, theoretical models and experimental techniques)  |  | atomic force fields, theoretical models and experimental techniques)  | 
             | that can be used to understand and predict the physico-chemical basis  |  | that can be used to understand and predict the physico-chemical basis  | 
             | of interactions and dynamic processes within biomolecular systems.  |  | of interactions and dynamic processes within biomolecular systems.  | 
             | Specific areas of interest include structure prediction, protein and  |  | Specific areas of interest include structure prediction, protein and  | 
             | peptide folding, the self-assembly of protein/lipid complexes and the  |  | peptide folding, the self-assembly of protein/lipid complexes and the  | 
             | calculation of thermodynamic properties such as ligand binding  |  | calculation of thermodynamic properties such as ligand binding  | 
             | affinities.\r\n\r\n(Image created by Dr D. Poger)", |  | affinities.\r\n\r\n(Image created by Dr D. Poger)", | 
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             |  |  |       "name": "Simulation time at least 100 ns", | 
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             |  |  |       "name": "Temperature 300-310 K", | 
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             |  |  |       "name": "organic thin film", | 
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             |  |  |       "name": "oxygen", | 
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             |  |  |       "name": "thermostat is Berendsen", | 
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             |  |  |       "name": "vacuum deposited", | 
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             |  |  |       "vocabulary_id": null | 
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             |  |  | Ir(ppy)2(acac):CBP organic thinfilm (replicate 2 of 3)", | 
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