Grand Challenge 4 - Pose Prediction Method - BACE (Stage 1A)
Pose RMSDs (Å) - Pose 1
Compound:
Mean over all
Median over all
BACE_1
BACE_2
BACE_3
BACE_4
BACE_5
BACE_6
BACE_7
BACE_8
BACE_9
BACE_10
BACE_11
BACE_12
BACE_13
BACE_14
BACE_15
BACE_16
BACE_17
BACE_18
BACE_19
BACE_20
BACE_21
BACE_22
BACE_23
BACE_24
Receipt ID
Submitter Name
PI/Group Name
Number of Ligands
Median RMSD
Mean RMSD
STD RMSD
Method Name
Software
st72s
Jonathan Bohmann
Medicinal and process chemistry
18
8.76
8.97
8.25
rhodium 5.8 hts
pymol 1.2 accelerys discovery studio 2.0 rhodium 5.8 openbabel 2.3.90
w020k
Xianjin Xu
Xiaoqin zou
19
1.81
2.29
1.71
a hierarchical docking method xdz_2
openeye/mgltools/smina/tensorflow