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  "author": "Oleksandr Ya Yakovenko",
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  "author": "Oleksandr Ya Yakovenko",
            
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  "doi": "10.57702/a01d7oiq",
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    {
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      "extra_author": "Sreeja Leelakumari",
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      "extra_author": "Sreeja Leelakumari",
            
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      "orcid": ""
            
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    },
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    {
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      "extra_author": "Ganna Vashchenko",
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      "extra_author": "Ganna Vashchenko",
            
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      "orcid": ""
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      "orcid": ""
            
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    },
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    },
            
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    {
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      "extra_author": "Albert Badiong",
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      "extra_author": "Albert Badiong",
            
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      "orcid": ""
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      "orcid": ""
            
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    },
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    {
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      "extra_author": "Steven J.M. Jones",
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      "extra_author": "Steven J.M. Jones",
            
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      "orcid": ""
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      "orcid": ""
            
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  "name": "cell-based-activity-assay-dataset",
            
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  "notes": "The dataset used in this paper for cell-based activity 
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  "notes": "The dataset used in this paper for cell-based activity 
            
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assay. The dataset contains 24 compounds that provided a stable 
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assay. The dataset contains 24 compounds that provided a stable 
            
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triple-complex behavior in MD simulations.",
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triple-complex behavior in MD simulations.",
            
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