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README.md

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#### DeepSite -binding site prediction
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##### Contains input files and results from DeepSite, a binding site prediction tool. These predictions helped identify potential cholesterol and derivative binding pockets on the AC7 structure.
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#### DiffDock - diffdock docking of cholesterol derivatives/
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#### DiffDock - DiffDock docking of cholesterol derivatives
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##### Results obtained from DiffDock, a diffusion-based docking method. It includes configuration files, run scripts, and output data showing how cholesterol derivatives interact with the predicted AC7 binding sites.
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#### DockThor_Cholesterol

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