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GC3 Stage 1 Update

We have several important announcements regarding this challenge:
  • Our rerefinement of the Cathepsin S crystal structures revealed that three ligands for which the SMILES strings we were given listed a trimethyl group actually have a trifluoro group. We confirmed this correction with Janssen. The compounds are CatS_7, Cat_9, and CatS_14. A revised Stage 1 data package is available here (https://drugdesigndata.org/about/grand-challenge-3/cathepsin_s#data-download) .
  • Because of this correction, Stage 1 is being extended to 5:00 pm Pacific Time, October 3.
  • Submission instructions are now available here (https://drugdesigndata.org/about/grand-challenge-3-submission-instructions-cathepsin-stage1) .
  • The website will open for submissions on September 25. We recommend submitting your predictions in advance of the deadline, so you will have sufficient time to correct any problems identified by our validation software.
Happy docking! D3R Team


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