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Pocket2Drug

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Date created: 2021-12-16 11:57 PM | Last Updated: 2024-07-28 11:03 PM

Identifier: DOI 10.17605/OSF.IO/QACWJ

Category: Project

Description: Supplementary data for Pocket2Drug

Wiki

Pocket2Drug dataset

protein.list: list of target proteins

pocket.list: list of target pockets

protein-data: protein features:

  • *.fasta protein sequence in the FASTA format
  • *.pdb protein structure in the PDB format
  • *.pops protein surface calculated by the POPS program
  • *.profile protein sequence profile calculated by the PROFILpro program

pocket-data: pocket features:

  • *.lpc ligand-protein contacts…

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