Published April 15, 2026
| Version v2
Dataset
Open
Dataset for the article "Predicting unknown binding sites for transition-metal-based compounds in proteins"
Description
This dataset contains additional material related to the article "Predicting unknown binding sites for transition-metal-based compounds in proteins".
It includes a Jupyter Notebook for performing Metal1D and Metal3D predictions for all the systems studied, as well as the results of the predictions and visualizations.
Files
fpocket_predictions.zip
Files
(165.0 MB)
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md5:3fc3f98816b13719334c920ae701e436
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44.4 kB | Preview Download |
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md5:7b63295adf0658291a83074deec4b689
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9.1 MB | Preview Download |
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md5:07cd571219ac05bb4c08ac526a6f4205
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124.2 MB | Preview Download |
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md5:05208d205c83b9c4861f285bba6e6401
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193.0 kB | Preview Download |
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md5:49e35c72d598fb02117c7170f0ec66db
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1.8 kB | Download |
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md5:ef52b20775e0b5146ebcc3c52f98c5d6
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5.7 MB | Preview Download |
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md5:40bf60d9baa41eb461ea6912604bb859
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9.3 kB | Preview Download |
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md5:40e0f0f62a3686cf77377cf4d4490533
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12.0 MB | Preview Download |
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md5:0258c06651aced1b264cc72e9cb0ae58
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11.5 MB | Preview Download |
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md5:d1eba2bceacda4a3ebe9617cb626b725
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2.3 MB | Preview Download |