Table 1.
Number of validated submissions, Nsubmissions, received and number of individuals/organizations that participated, Nparticipants, for each component of D3R Grand Challenge 2. For the free energy sets, the first number indicates submissions using explicit solvent free energy methods, and the second indicates submissions using other methods.
Challenge Component | Nsubmissions | Nparticipants |
---|---|---|
Pose Predictions | 51 | 33 |
Stage 1 Affinity Rankings | 59 | 31 |
Stage 2 Affinity Rankings | 82 | 27 |
Stage 1 Free Energy Set 1 | 5, 9 | 3, 9 |
Stage 1 Free Energy Set 2 | 4, 9 | 3, 9 |
Stage 2 Free Energy Set 1 | 11, 10 | 8, 6 |
Stage 2 Free Energy Set 2 | 10, 11 | 7, 7 |