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  "name": 
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  "name": 
            
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ontaneous_water_penetration_cbp_irppy2acac_vacuum-deposited-thinfilm",
            
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  "notes": "A layer of water was placed over a vacuum deposited 6wt% 
            
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Ir(ppy)2(acac):CBP organic thinfilm. No water was placed within the 
            
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film. Water spontaneously diffused into the film over the course of 
            
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the simulation.",
            
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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 
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that can be used to understand and predict the physico-chemical basis 
            
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of interactions and dynamic processes within biomolecular systems. 
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of interactions and dynamic processes within biomolecular systems. 
            
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Specific areas of interest include structure prediction, protein and 
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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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