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TOUGH-M1

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Description: Dataset to evaluate algorithms for binding site matching

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Dataset

TOUGH-M1 comprises experimental target structures with binding pockets identified by Fpocket 2.0. The following files are included:

Lists

TOUGH-M1_target.list

A list of 7524 targets

TOUGH-M1_pocket.list

A list of pockets identified by Fpocket 2.0

  • 1st column is the PDB-ID of target protein
  • 2nd column is the index of the best pocket
  • 3rd column is the accuracy of the best pocket (Matthews co…

Files

Files can now be accessed and managed under the Files tab.

Citation

Tags

Computational BiologyDrug binding pocketsFpocketLigand bindingLocal pocket alignmentsPocket matchingSequence order-independent alignmentsStructural bioinformatics

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