GC3 Active/Inactive Classification - JAK2SC2

Grand Challenge 3 - Active/Inactive Classification - JAK2SC2

Matthews Correlation Coefficient

Receipt ID Submitter Name PI/Group Name Number of Ligands Matthews Correlation Coefficient Method Name Software Method Type
bempa Alejandro Varela rialComputational biophysics 88 0.11 kdeep-vina kdeep structure-based scoring
zkt5d Bing XieDavid d.l. minh 84 0.01 algdock openeye quacpac modeller 9.18 ucsf dock6 ambertools 14 namd 2.9 structure-based scoring
24ob4 Bing XieDavid d.l. minh 84 -0.09 algdock openeye quacpac modeller 9.18 ucsf dock6 ambertools 14 namd 2.9 ligand-based scoring
jxdme Bing XieDavid d.l. minh 83 0.04 algdock openeye quacpac modeller 9.18 ucsf dock6 ambertools 14 namd 2.9 ligand-based scoring