47kuq |
Minsup Kim | Cb2 / art e. cho |
7 |
0.43 |
0.31 |
0.5 |
0.38 |
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 |
7 |
0.43 |
0.28 |
0.61 |
0.32 |
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 |
7 |
0.43 |
0.31 |
0.5 |
0.38 |
ri-score-k1-v/tdl-bp/autodock vina |
ri-score/tdl-bp/autodock vina |
structure-based scoring |
tn7sk |
Duc Nguyen | Guo-wei wei |
7 |
0.33 |
0.3 |
0.57 |
0.38 |
ri-score-k1/tdl-bp/autodock vina |
ri-score/tdl-bp/autodock vina |
structure-based scoring |
rdn3k |
Zixuan Cang | Guo-wei wei |
7 |
0.52 |
0.3 |
0.57 |
0.36 |
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 |
7 |
0.14 |
0.34 |
0.21 |
0.42 |
kdeep-vina |
kdeep |
structure-based scoring |
ktfzk |
Jonathan Bohmann | Medicinal and process chemistry |
7 |
0.05 |
0.32 |
0.14 |
0.41 |
rhodium hts |
rhodium 380e9-x9/ openbabel 2.3.90 / pymol 1.3 |
structure-based scoring |
yjtwz |
Zixuan Cang | Guo-wei wei |
7 |
0.14 |
0.35 |
0.25 |
0.43 |
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 |
7 |
-0.52 |
0.29 |
-0.68 |
0.33 |
ri-score-k1-v/tdl-bp/autodock vina |
ri-score/tdl-bp/autodock vina |
structure-based scoring |
3o8xi |
Jonathan Bohmann | Medicinal and process chemistry |
7 |
0.52 |
0.3 |
0.61 |
0.34 |
rhodium hts |
rhodium 380e9-x9/ openbabel 2.3.90 / pymol 1.3 |
structure-based scoring |
rscdp |
Duc Nguyen | Guo-wei wei |
7 |
-0.24 |
0.31 |
-0.39 |
0.39 |
ri-score-k1/tdl-bp/autodock vina |
ri-score/tdl-bp/autodock vina |
structure-based scoring |