D3R Grand Challenge 2: Extension of Stage 2 and Stage 1 Pose Evaluations

Dear Grand Challenge 2 Participant,

1. In response to a participant request, and in light of the late release of corrected Stage 1 cocrystal structures, the deadline for Stage 2 predictions is extended by one week, to February 8.

2. Summary evaluations of your Stage 1 pose predictions are available here. Look for your results by Receipt ID.

   As you could submit up to five poses for each ligand, we list Mean RMSD of Top Scoring Pose (the mean, across all ligands, of the poses you listed as the top scoring ones) and Mean RMSD of Lowest RMSD Poses (the mean, across all ligands, of the lowest RMSD poses of the five for each ligand). The RMSDs were computed by aligning your predictions against the new, re-refined crystal structures, using binding-site atoms to do the superpositions. Ligand-by-ligand statistics will appear on the D3R website soon.

Happy docking!
The D3R Team