| 47kuq |
Minsup Kim | Cb2 / art e. cho |
10 |
0.52 |
thermal mm-gbsa |
desmond molecular dynamics simulation and prime molecular mechanics applications in schrodinger 2017-4 suites. |
structure-based scoring |
| zg8mv |
Zixuan Cang | Guo-wei wei |
10 |
0.05 |
tml&tdl-bp/ri-score/gold/autodock-vina |
schrodinger, gold, autodock vina, r-tda, javaplex, scikit-learn |
structure-based scoring |
| c4xt7 |
Duc Nguyen | Guo-wei wei |
10 |
0.52 |
ri-score-k1-v/tdl-bp/autodock vina |
ri-score/tdl-bp/autodock vina |
structure-based scoring |
| tn7sk |
Duc Nguyen | Guo-wei wei |
10 |
0.52 |
ri-score-k1/tdl-bp/autodock vina |
ri-score/tdl-bp/autodock vina |
structure-based scoring |
| rdn3k |
Zixuan Cang | Guo-wei wei |
10 |
0.52 |
tml&tdl-bp/ri-score/gold/autodock-vina |
schrodinger, gold, autodock vina, r-tda, javaplex, scikit-learn |
structure-based scoring |
| 8s04m |
Alejandro Varela rial | Computational biophysics |
10 |
0.05 |
kdeep-vina |
kdeep |
structure-based scoring |
| ktfzk |
Jonathan Bohmann | Medicinal and process chemistry |
10 |
0.52 |
rhodium hts |
rhodium 380e9-x9/ openbabel 2.3.90 / pymol 1.3 |
structure-based scoring |
| yjtwz |
Zixuan Cang | Guo-wei wei |
10 |
0.52 |
tml&tdl-bp/ri-score/gold/autodock-vina |
schrodinger, gold, autodock vina, r-tda, javaplex, scikit-learn |
structure-based scoring |
| iaqxr |
Duc Nguyen | Guo-wei wei |
10 |
-0.43 |
ri-score-k1-v/tdl-bp/autodock vina |
ri-score/tdl-bp/autodock vina |
structure-based scoring |
| 3o8xi |
Jonathan Bohmann | Medicinal and process chemistry |
10 |
1 |
rhodium hts |
rhodium 380e9-x9/ openbabel 2.3.90 / pymol 1.3 |
structure-based scoring |
| rscdp |
Duc Nguyen | Guo-wei wei |
10 |
0.05 |
ri-score-k1/tdl-bp/autodock vina |
ri-score/tdl-bp/autodock vina |
structure-based scoring |