GC3 Affinity Ranking - JAK2SC2

Grand Challenge 3 - Affinity Ranking - JAK2SC2

Kendall's τ

Spearman's ρ

Receipt ID Submitter Name PI/Group Name Number of Ligands Kendall's τ Kendall's τ Error Spearman's ρ Spearman's ρ Error Method Name Software Method Type
bempa Alejandro Varela rialComputational biophysics 36 -0.04 0.11 -0.1 0.17 kdeep-vina kdeep structure-based scoring
zkt5d Bing XieDavid d.l. minh 34 -0.13 0.13 -0.17 0.18 algdock openeye quacpac modeller 9.18 ucsf dock6 ambertools 14 namd 2.9 structure-based scoring
24ob4 Bing XieDavid d.l. minh 34 0.07 0.11 0.11 0.16 algdock openeye quacpac modeller 9.18 ucsf dock6 ambertools 14 namd 2.9 ligand-based scoring
jxdme Bing XieDavid d.l. minh 33 -0.04 0.14 -0.09 0.2 algdock openeye quacpac modeller 9.18 ucsf dock6 ambertools 14 namd 2.9 ligand-based scoring