0kg1e | Carlos Camacho | Bentley Wingert | 102 | 0.42 | 0.05 | min_cross | Smina | structure-based |
1t2p5 | Rognan, Didier | Didier ROGNAN | 102 | 0.35 | 0.06 | Surflex/GRIM Interaction Pattern Similarity/ HYDE (Protocol 2) | Ichem-GRIM, HYDE | structure-based |
1un0y | David Koes | David Koes | 102 | 0.28 | 0.05 | cnn_combined | gnina_cnn | structure-based |
2o6iv | Rognan, Didier | Didier ROGNAN | 102 | 0.38 | 0.06 | Surflex/Grim/Hyde (Protocol 1) | Ichem-GRIM, HYDE | structure-based |
2umsq | Alexander D MacKerell Jr. | Sirish Lakkaraju | 102 | -0.30 | 0.06 | SILCS-MC | SILCS (Site Identification by Ligand Competitive Saturation) | structure-based |
33a8g | Xiaoqin Zou | Xiaoqin Zou | 102 | 0.28 | 0.06 | ITScore_v2 | ITScore_v2 | structure-based |
3qyiy | Xiaoqin Zou | Xiaoqin Zou | 102 | 0.36 | 0.05 | MMPBSA | Amber-MMPBSA | structure-based |
4ivv5 | Xiaoqin Zou | Xiaoqin Zou | 102 | 0.28 | 0.06 | ITScore_v2_TF | ITScore_v2_TF | structure-based |
4ynsp | Rognan, Didier | Didier ROGNAN | 102 | 0.44 | 0.06 | Surflex/GRIM Interaction Pattern Similarity/ HYDE (Protocol3) | Ichem-GRIM, HYDE | structure-based |
5f688 | David Koes | David Koes | 102 | 0.35 | 0.05 | cnn_csar_fxr | gnina_cnn | structure-based |
5nim5 | Carlos Camacho | Bentley Wingert | 102 | 0.08 | 0.05 | align_cross | Smina | structure-based |
6fzf6 | Alexandre Bonvin | Alexandre Bonvin | 102 | 0.27 | 0.06 | HADDOCK2.2 protein-ligand protocol | HADDOCK2.2 web server | structure-based |
6pcik | Ho Leung Ng | Ho Leung Ng | 102 | 0.43 | 0.05 | ERF-DOCK | idock-RF-v3, visual | structure-based |
6pf5g | | | 102 | 0.31 | 0.06 | glide_ensemble_docking | Glide-XP | structure-based |
87x7c | In silico Drug Design Master | doha naga | 102 | 0.45 | 0.05 | UCSF Chimera/MGLTools/AutoDock Vina/RDKIT/CDK/Knime | AutoDock Vina | structure-based |
a2w8d | Carlos Camacho | Bentley Wingert | 102 | 0.15 | 0.07 | dock_cross_1OSV | Smina | structure-based |
aaveo | David Evans | Matthew Baumgartner | 102 | 0.40 | 0.05 | align_close | Smina, Visual | structure-based |
bhtq4 | Xiaoqin Zou | Xiaoqin Zou | 102 | -0.04 | 0.06 | ITScore_v1_TF | ITScore_v1_TF | structure-based |
bwdnh | David Koes | David Koes | 102 | 0.28 | 0.06 | cnn_csar | gnina_cnn | structure-based |
c0l1t | | | 102 | -0.03 | 0.07 | In_house_machine_learning_score/Maestro/GOLD | In-house machine learning score | structure-based |
c20xb | Xiaoqin Zou | Xiaoqin Zou | 102 | 0.30 | 0.06 | ITScore_TF | ITScore_TF | structure-based |
cs2lm | Stefano Moro | Stefano Moro | 102 | -0.09 | 0.06 | MMS DockBench CrossDocking - MMGBSA Method 1 | Amber-MMGBSA | structure-based |
cwip8 | Alexander D MacKerell Jr. | Sirish Lakkaraju | 102 | -0.01 | 0.07 | SILCS-MC | SILCS (Site Identification by Ligand Competitive Saturation) | structure-based |
dlvjf | Alfonso T. Garcia-Sosa | Alfonso T. Garcia-Sosa | 102 | 0.26 | 0.06 | grandconsen_qpld_XP_SP_Vina_AD4 | qpld, Glide-XP, Glide-SP, AutoDock Vina, AutoDock 4 | structure-based |
dnil6 | | | 102 | 0.07 | 0.06 | In_house_machine_learning_score/Maestro/GOLD | In-house machine learning score | structure-based |
ec84y | | | 102 | 0.34 | 0.06 | xScore | xScore | structure-based |
f30wc | | | 102 | 0.35 | 0.06 | Smina/RF-Score-VS v3 | RF-Score-VS, Smina | structure-based |
f48cf | Carlos Camacho | Bentley Wingert | 102 | 0.37 | 0.05 | dock_cross_3OLF | Smina | structure-based |
fvfe7 | Xiaoqin Zou | Xiaoqin Zou | 102 | 0.19 | 0.06 | ITScore_v1 | ITScore_v1 | structure-based |
fzr1f | Enrico Purisima | Enrico Purisima | 102 | 0.30 | 0.05 | SIE Method 1 | SIE (Solvated Interaction Energy) | structure-based |
g7q2q | In silico Drug Design Master | Olivier Bequignon | 102 | 0.45 | 0.05 | UCSF Chimera/MGLTools/AutoDock Vina/RDKIT/CDK/Knime | AutoDock Vina | structure-based |
gzd7a | David Evans | Matthew Baumgartner | 102 | 0.43 | 0.05 | smina_ens | Smina | structure-based |
h1on0 | Xiaoqin Zou | Xiaoqin Zou | 102 | 0.13 | 0.07 | ITScore_v1 | ITScore_v1 | structure-based |
h2w3q | | | 102 | 0.34 | 0.06 | ProPKA/Obabel/VINA/AutoDock/SeeSAR Method 1 | SeeSAR | structure-based |
jr0oc | Stefano Moro | Stefano Moro | 102 | -0.40 | 0.06 | MMS CrossDocking - Protein APO (PAPO) Method 2 | Gold | structure-based |
k2um8 | Alfonso T. Garcia-Sosa | Alfonso T. Garcia-Sosa | 102 | 0.26 | 0.06 | grandconsen_qpld_XP_SP_Vina_AD4 | qpld, Glide-XP, Glide-SP, AutoDock Vina, AutoDock 4 | structure-based |
keum2 | Nagamani Sukumar | Pinaki Saha | 102 | -0.11 | 0.06 | MOE | GBVI/WSA scoring | structure-based |
kz0dz | Garland R. Marshall | Flavio Ballante | 102 | 0.20 | 0.07 | FBRHGRM Method 1 | 3D QSAutogrid/R | ligand-based |
l0xpi | Max Totrov | Maxim Totrov | 102 | 0.30 | 0.06 | ICM/APF 3D QSAR | Molsoft ICM | structure-based |
l8rmr | Steve Jones | Oleksandr Yakovenko | 102 | 0.14 | 0.06 | LIE | LIE (Linear Interaction Energy Model) | structure-based |
lpcmd | Mingyue Zheng | Zhaoping Xiong | 102 | 0.18 | 0.07 | Glide xp | Glide-XP | ligand-based |
mf3fc | Bogdan Iorga | Bogdan Iorga | 102 | 0.13 | 0.06 | D3RGC2-Score-1 | GoldScore, ChemScore, ChemPLP, ASP | structure-based |
mseke | David Koes | David Koes | 102 | 0.33 | 0.05 | vina | Smina | structure-based |
mzwwt | Xiaoqin Zou | Xiaoqin Zou | 102 | 0.25 | 0.06 | ITScore_v2 | ITScore_v2 | structure-based |
nvoyn | | | 102 | 0.36 | 0.06 | Smina/RF-Score-VS v2 | RF-Score-VS, Smina | structure-based |
o3nlu | Mingyue Zheng | Zhaoping Xiong | 102 | 0.18 | 0.07 | Glide xp | Glide-XP | structure-based |
pcy26 | Max Totrov | Maxim Totrov | 102 | 0.24 | 0.06 | ICM/APF 3D QSAR | Molsoft ICM | structure-based |
pgbuh | Charles L. Brooks III | Xinqiang Ding | 102 | 0.28 | 0.06 | Scoring using AutoDock Vina | AutoDock Vina | structure-based |
q76s3 | Xiaoqin Zou | Xiaoqin Zou | 102 | 0.27 | 0.06 | ITScore_v1_TF | ITScore_v1_TF | structure-based |
r885q | Xiaoqin Zou | Xiaoqin Zou | 102 | 0.10 | 0.07 | ITScore_v2_TF | ITScore_v2_TF | structure-based |
sn46i | Bogdan Iorga | Bogdan Iorga | 102 | 0.07 | 0.06 | D3RGC2-Score-2 | GoldScore, ChemScore, ChemPLP, ASP, RMSD similarity to reference fragment | structure-based |
tdbsk | Alexander D MacKerell Jr. | Sirish Lakkaraju | 102 | -0.05 | 0.06 | SILCS-MC | SILCS (Site Identification by Ligand Competitive Saturation) | structure-based |
ttgw7 | Kam Y.J. Zhang | Ashutosh Kumar | 102 | 0.41 | 0.05 | CDVS score | Glide | structure-based |
ukdfw | Carlos Camacho | Bentley Wingert | 102 | 0.30 | 0.06 | dock_cross_benz | Smina | structure-based |
vskkl | David R. Bevan | Anne Brown | 102 | 0.07 | 0.07 | AutoDock Vina | AutoDock Vina | structure-based |
vu0d0 | Xiaoqin Zou | Xiaoqin Zou | 102 | 0.02 | 0.06 | ITScore_TF | ITScore_TF | structure-based |
yprv4 | Garland R. Marshall | Flavio Ballante | 102 | 0.28 | 0.06 | FBRHGRM Method 1 | AutoDock Vina, Clusterizer-DockAccessor | structure-based |