GC3 Active/Inactive Classification - TIE2 (Set 2)

Grand Challenge 3 - Active/Inactive Classification - TIE2 (Set 2)

Matthews Correlation Coefficient

Receipt ID Submitter Name PI/Group Name Number of Ligands Matthews Correlation Coefficient Method Name Software Method Type
4q3va Duc NguyenGuo-wei wei 6 all_binders ri-score-k1-v/tdl-bp/autodock vina ri-score,tdl-bp,autodock vina,schrodinger protein forcefield opls3 ligand forcefield opls3 water model spc structure-based score
3jbyj Zixuan CangGuo-wei wei 6 all_binders tml&tdl-bp/ri-score/gold/autodock-vina pqb2pqr, javaplex, r-tda, scikit-learn protein forcefield charmm ligand forcefield na water model na structure-based score
hwnab Duc NguyenGuo-wei wei 6 all_binders ri-score-k1/tdl-bp/autodock vina ri-score,tdl-bp,autodock vina,schrodinger protein forcefield opls3 ligand forcefield opls3 water model spc structure-based score
80o3h Xiaoqin ZouXiaoqin zou 6 all_binders mmpbsa amber11 protein forcefield amber03 force field ligand forcefield generalized amber force field (gaff) (am1-bcc charges) water model tip3p structure-based score
6y62v Duc NguyenGuo-wei wei 6 all_binders ri-score-k1-v/tdl-bp/autodock vina ri-score,tdl-bp,autodock vina,schrodinger protein forcefield opls3 ligand forcefield opls3 water model spc structure-based score
5g8ed Zixuan CangGuo-wei wei 6 all_binders tml&tdl-bp/ri-score/gold/autodock-vina pqb2pqr, javaplex, r-tda, scikit-learn protein forcefield charmm ligand forcefield na water model na structure-based score
3x38n Duc NguyenGuo-wei wei 6 all_binders ri-score-k1/tdl-bp/autodock vina ri-score,tdl-bp,autodock vina,schrodinger protein forcefield opls3 ligand forcefield opls3 water model spc structure-based score