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Off-Target Pipeline

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OFF-TARGET PIPELINE is a platform intended to carry out a recently introduced chemical systems biology approach for secondary target identification, but may also be useful to other applications in bioinformatics and drug discovery.

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  • binding site comparison
  • protein-ligand docking
  • ligand-receptor electrostatic energy calculation
  • binding cavity electrostatic profile comparison
  • virtual screening
  • information retrieval from PDB
  • multi-threading
  • off-target effect prediction


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