Grand Challenge 3 - Pose Prediction Method - Cathepsin S (Stage1A)

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
va7rj Bogdan IorgaBogdan iorga 23 2.03 2.96 1.94 d3r-gc3-pose-best-score-constraints-md cactvs chemoinformatics toolkit v3.433/schr_dinger suite 2016-1/corina v3.60/ucsf chimera v1.10.2/gold v5.2/gromacs 4.6.5
r87j3 Gregory WarrenNone 23 2.66 4.08 3.1 hdef hybrid v3.2.0.2
cmv4q Gregory WarrenNone 23 2.59 4.1 3.16 pchd hybrid v3.2.0.2; smzap 1.2.1.4
ccxri Gregory WarrenNone 23 2.6 4.16 3.25 cchs hybrid v3.2.0.2; smzap 1.2.1.4
pskfu Gregory WarrenNone 23 2.73 4.23 3.05 cchd hybrid v3.2.0.2; smzap 1.2.1.4
bnexw Gregory WarrenNone 23 2.6 4.32 3.33 pchs hybrid v3.2.0.2; smzap 1.2.1.4
pi5vu Bing XieDavid d.l. minh 22 11.58 11.26 2.09 algdock openeye quacpac, modeller-9.18, ucsf dock6, ambertools 14, namd 2.9
8bafj Bing XieDavid d.l. minh 22 11.87 11.72 3.04 algdock openeye quacpac, modeller-9.18, ucsf dock6, ambertools 14, namd 2.9