| 4u5ey |
Zixuan Cang | Guo-wei wei |
17 |
-0.29 |
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 |
| 2b8yq |
Xiaoqin Zou | Xiaoqin zou |
17 |
-0.03 |
mmpbsa |
amber11 protein forcefield amber03 force field ligand forcefield generalized amber force field (gaff) (am1-bcc charges) water model tip3p |
structure-based score |
| ouror |
Duc Nguyen | Guo-wei wei |
17 |
-0.55 |
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 |
| who6p |
Duc Nguyen | Guo-wei wei |
17 |
-0.29 |
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 |
| tf5ts |
Duc Nguyen | Guo-wei wei |
17 |
-0.03 |
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 |
| bkeem |
Zixuan Cang | Guo-wei wei |
17 |
-0.03 |
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 |
| 70j6z |
Duc Nguyen | Guo-wei wei |
17 |
0.23 |
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 |