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CELPP: Continuous Evaluation of Ligand Protein Prediction

Weekly blinded challenges for ligand pose prediction

2705 targets, 52 weeks, 15 automated workflows


 

Candidate protein solved with ligand having largest maximum common substructure with target ligand (LMCSS)

celpp_20181009_698d51a19d8a121c.png

CELPP uses the Protein Data Bank's (PDB) weekly publication of a list of structures slated for imminent release into the public domain as the basis for a weekly, pose-prediction challenge. Participants in CELPP create a workflow to predict protein-ligand binding poses, which is then tasked with predicting 10-100 new (never before released) protein-ligand crystal structures each week. CELPP evaluates the accuracy of each workflow's predictions and posts the scores online.

For more details, please see our CELPP wiki, CELPP GitHub pages, or join our Google Group.

Using or publishing any CELPP data means that you agree to cite the following reference: Wagner, J., Churas, C., Liu, S., Swift, R., Chiu, M., Shao, C., Feher, V., Burley, S., Gilson, M., and R. Amaro, "Continuous Evaluation of Ligand Protein Predictions: A Weekly Community Challenge for Drug Docking" (2018) BioRxiv Preprint, DOI:10.1101/469940

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