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. Author manuscript; available in PMC: 2019 Jan 1.
Published in final edited form as: J Comput Aided Mol Des. 2017 Dec 4;32(1):1–20. doi: 10.1007/s10822-017-0088-4

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