Grand Challenge 4 - Pose Prediction Method - BACE (Stage 1A)

Pose RMSDs (Å) - Pose 1

Compound:

Receipt ID Submitter Name PI/Group Name Number of Ligands Median RMSD Mean RMSD STD RMSD Method Name Software
st72s Jonathan BohmannMedicinal and process chemistry 18 8.61 8.96 8.5 rhodium 5.8 hts pymol 1.2 accelerys discovery studio 2.0 rhodium 5.8 openbabel 2.3.90
w020k Xianjin XuXiaoqin zou 19 1.81 2.28 1.76 a hierarchical docking method xdz_2 openeye/mgltools/smina/tensorflow