DUD-E and PDBBind

A new benchmark dataset for structure-based virtual screening, constructed based on DUD-E and PDBBind databases.

Data and Resources

Cite this as

Adam Gonczarek, Jakub M. Tomczak, Szymon Zar˛eba, Joanna Kaczmar, Piotr D ˛abrowski, Michał J. Walczak (2024). Dataset: DUD-E and PDBBind. https://doi.org/10.57702/z5hwir4u

DOI retrieved: December 2, 2024

Additional Info

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Created December 2, 2024
Last update December 2, 2024
Author Adam Gonczarek
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Jakub M. Tomczak
Szymon Zar˛eba
Joanna Kaczmar
Piotr D ˛abrowski
Michał J. Walczak
Homepage https://doi.org/10.1007/s10877-016-0945-4