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Data set consisting of proteins with associated hydration sites calculated by WATsite

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https://zenodo.org/record/14182833
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The data set contains 3793 proteins. Each protein is provided as "protein_sasa.pdb", also specifying the SASA value per atom.  For each protein, the hydration sites with associated occupancy and thermodynamic properties were calculated using WATsite and are provided in the files "watsite.csv".
创建时间:
2024-11-19
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