Grand Challenge 2

Pose RMSDs (Å) - Compound: Average over all - Pose 1

Compound:
Submission ID Group/PI name Submitter Name Number of ligands Median RMSD (Å) Mean RMSD (Å) Standard Deviation of RMSD Protocol Name from Protocol File List of Software Packages Used
00ulb Alexander D MacKerell Jr. Sirish Lakkaraju 33 6.21 6.19 2.16 MC-SILCS SILCS (Site Identification by Ligand Competitive Saturation)
04hag     34 2.69 3.68 3.09 Pose prediction Glide-XP (No scoring, one pose outputted for each ligand)
41tia     33 5.90 5.68 2.40 Maestro/Gold/FRI-Score CCDC-Gold, In-house machine learning scoring
m00nf Nagamani Sukumar Pinaki Saha 34 5.72 6.37 3.11 MOE method MOE
piwli     34 1.76 3.31 2.78 Colony Entropy Ensemble DOCKing Glide
touhi     18 0.68 0.81 0.44 Pose predictions of 18 benzimidazole complexes using MD Glide, CCDC Gold, Desmond (MD)