GPCR Dock 2021

Assessment

We will assess both the accuracy of GPCR structure prediction and the accuracy of ligand docking. The assessment criteria include (but are not limited to) the following:

  1. Accuracy of predicting TM bundle structure
  2. Accuracy of predicting ECLs
  3. Accuracy of predicting the ligand binding site
  4. Accuracy of ligand docking (ligand RMSD and interactions/contacts)

Please refer to prior publications [1-3] to get a better idea of GPCR Dock model assessment criteria. We reserve the right to revise and update these criteria in a way that individual targets dictate. Please do not hesitate to contact us (Irina Kufareva: ikufareva@health.ucsd.edu, or Suwen Zhao: zhaosw@shanghaitech.edu.cn) with questions and suggestions.


References

[1] Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008. Nat Rev Drug Discov. 8, 455-463, 2009.

[2] Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment. Structure. 19, 1108-1126, 2011.

[3] Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges. Structure. 22, 1120-1139, 2014.