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User-defined target pocket for DiffDock #268

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genesup opened this issue Jan 9, 2025 · 0 comments
Open

User-defined target pocket for DiffDock #268

genesup opened this issue Jan 9, 2025 · 0 comments

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@genesup
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genesup commented Jan 9, 2025

Hello,

is there a way to select a particular binding pocket as the target for DiffDock? E.g., by reference ligand or by providing a list of amino acid residues? Such functionality is available in Boltz-1 but I could not find it in the DiffDock documentation. Sorry if I missed it.

Thanks for your feedback
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@genesup