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Is there a way to keep one cofactor in the protein structure and dock another ligand to it? #45

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Yang-Wang-2020 opened this issue Feb 20, 2025 · 2 comments
Open

Is there a way to keep one cofactor in the protein structure and dock another ligand to it? #45

Yang-Wang-2020 opened this issue Feb 20, 2025 · 2 comments

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@Yang-Wang-2020
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Thank you!
@hofferla
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This is a great question, and I do not think it is possible at the moment
That would be a nice improvement (handling of cofactors, multi-ligands and metallic cations) of the current dynbind approach

@Yang-Wang-2020
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Yes. This improvement will be very cool and make the tool super useful.

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@Yang-Wang-2020 @hofferla