| 1bhkb | In silico Drug Design Master | doha naga | 15 | 0.11 | 0.19 | 0.70 | 0.23 | UCSF Chimera/MGLTools/AutoDock Vina/RDKIT/Knime Method 1 | Vina | Structure-based scoring |
| 2yqgz | In silico Drug Design Master | Olivier Bequignon | 15 | 0.11 | 0.19 | 0.70 | 0.23 | UCSF Chimera/MGLTools/AutoDock Vina/RDKIT/Knime Method 1 | Vina | Structure-based scoring |
| 5bvwx | | | 15 | 0.12 | 0.19 | 0.68 | 0.20 | In_house_machine_learning_score/Maestro/GOLD | In-house machine learning score | Structure-based scoring |
| 7hw77 | Julien Michel | Julien Michel | 15 | 0.04 | 0.18 | 2.95 | 0.86 | alchemical free energy protocol without network analysis | FESetup, NetworkX | Free energy |
| 8nbnv | Merck | Yuan Hu | 15 | 0.04 | 0.14 | 5.50 | 1.22 | MMGBSA ranking from 20 MD replicates | MMGBSA | Structure-based scoring |
| a3c8k | Julien Michel | Julien Michel | 15 | -0.03 | 0.21 | 3.38 | 1.08 | alchemical free energy protocol with average network analysis | FESetup, NetworkX | Free energy |
| axxmu | Xiaoqin Zou | Xiaoqin Zou | 15 | 0.29 | 0.15 | 1.06 | 0.20 | MMPBSA | MMPBSA | Structure-based scoring |
| bolbu | Mingyue Zheng | Zhaoping Xiong | 15 | 0.17 | 0.20 | 2.25 | 0.20 | monte carlo free energy perturbation | MCPro | Free energy |
| nrdge | Carlos Camacho | Bentley Wingert | 15 | 0.39 | 0.15 | 0.91 | 0.19 | quasi-exact | Quasi exact method | Structure-based scoring |
| o8bk4 | Zoe Cournia | Christina Athanasiou | 15 | 0.06 | 0.17 | 2.55 | 0.30 | Free energy perturbation calculations | FEP-Desmond, Visual | Free energy |
| oo7gj | Nagamani Sukumar | Pinaki Saha | 15 | -0.37 | 0.15 | 1.74 | 0.27 | MOE | MOE | Structure-based scoring |
| pbjwu | Julien Michel | Julien Michel | 15 | 0.06 | 0.21 | 1.85 | 0.30 | Expert opinion | Visual | Structure-based scoring |
| xr834 | | | 15 | 0.02 | 0.18 | 0.75 | 0.19 | Tscore/Maestro/GOLD | In-house machine learning score | Structure-based scoring |
| 1t2p5 | Rognan, Didier | Didier ROGNAN | 15 | -0.15 | 0.19 | 2.17 | 0.35 | Surflex/GRIM Interaction Pattern Similarity/ HYDE (Protocol 2) | Ichem-GRIM, HYDE | Structure-based scoring |
| 2o6iv | Rognan, Didier | Didier ROGNAN | 15 | -0.10 | 0.23 | 2.44 | 0.44 | Surflex/Grim/Hyde (Protocol 1) | Ichem-GRIM, HYDE | Structure-based scoring |
| 2umsq | Alexander D MacKerell Jr. | Sirish Lakkaraju | 15 | 0.03 | 0.20 | 0.69 | 0.21 | SILCS-MC | SILCS (Site Identification by Ligand Competitive Saturation) | Structure-based scoring |
| 3qyiy | Xiaoqin Zou | Xiaoqin Zou | 15 | 0.29 | 0.15 | 1.06 | 0.19 | MMPBSA | Amber-MMPBSA | Structure-based scoring |
| 4ynsp | Rognan, Didier | Didier ROGNAN | 15 | -0.10 | 0.24 | 1.88 | 0.36 | Surflex/GRIM Interaction Pattern Similarity/ HYDE (Protocol3) | Ichem-GRIM, HYDE | Structure-based scoring |
| 6pf5g | | | 15 | -0.15 | 0.22 | 1.07 | 0.26 | glide_ensemble_docking | Glide-XP | Structure-based scoring |
| 87x7c | In silico Drug Design Master | doha naga | 15 | 0.11 | 0.19 | 0.70 | 0.23 | UCSF Chimera/MGLTools/AutoDock Vina/RDKIT/CDK/Knime | AutoDock Vina | Structure-based scoring |
| aaveo | David Evans | Matthew Baumgartner | 15 | -0.46 | 0.19 | 1.97 | 0.40 | align_close | Smina, Visual | Structure-based scoring |
| c0l1t | | | 15 | 0.12 | 0.19 | 0.68 | 0.20 | In_house_machine_learning_score/Maestro/GOLD | In-house machine learning score | Structure-based scoring |
| cs2lm | Stefano Moro | Stefano Moro | 15 | 0.08 | 0.17 | 4.61 | 0.65 | MMS DockBench CrossDocking - MMGBSA Method 1 | Amber-MMGBSA | Structure-based scoring |
| cwip8 | Alexander D MacKerell Jr. | Sirish Lakkaraju | 15 | 0.32 | 0.19 | 0.85 | 0.22 | SILCS-MC | SILCS (Site Identification by Ligand Competitive Saturation) | Structure-based scoring |
| dlvjf | Alfonso T. Garcia-Sosa | Alfonso T. Garcia-Sosa | 15 | -0.10 | 0.17 | 1.28 | 0.18 | grandconsen_qpld_XP_SP_Vina_AD4 | qpld, Glide-XP, Glide-SP, AutoDock Vina, AutoDock 4 | Structure-based scoring |
| dnil6 | | | 15 | 0.02 | 0.18 | 0.75 | 0.18 | In_house_machine_learning_score/Maestro/GOLD | In-house machine learning score | Structure-based scoring |
| ec84y | | | 15 | 0.07 | 0.20 | 1.15 | 0.35 | xScore | xScore | Structure-based scoring |
| fzr1f | Enrico Purisima | Enrico Purisima | 15 | 0.15 | 0.14 | 0.77 | 0.14 | SIE Method 1 | SIE (Solvated Interaction Energy) | Structure-based scoring |
| g7q2q | In silico Drug Design Master | Olivier Bequignon | 15 | 0.11 | 0.19 | 0.70 | 0.23 | UCSF Chimera/MGLTools/AutoDock Vina/RDKIT/CDK/Knime | AutoDock Vina | Structure-based scoring |
| gzd7a | David Evans | Matthew Baumgartner | 15 | 0.04 | 0.20 | 0.79 | 0.17 | smina_ens | Smina | Structure-based scoring |
| k2um8 | Alfonso T. Garcia-Sosa | Alfonso T. Garcia-Sosa | 15 | -0.10 | 0.17 | 1.28 | 0.18 | grandconsen_qpld_XP_SP_Vina_AD4 | qpld, Glide-XP, Glide-SP, AutoDock Vina, AutoDock 4 | Structure-based scoring |
| keum2 | Nagamani Sukumar | Pinaki Saha | 15 | -0.37 | 0.15 | 1.74 | 0.27 | MOE | GBVI/WSA scoring | Structure-based scoring |
| l8rmr | Steve Jones | Oleksandr Yakovenko | 15 | 0.28 | 0.14 | 0.92 | 0.14 | LIE | LIE (Linear Interaction Energy Model) | Structure-based scoring |
| lpcmd | Mingyue Zheng | Zhaoping Xiong | 15 | 0.17 | 0.20 | 2.25 | 0.20 | Glide xp | Glide-XP | Ligand-based scoring |
| mseke | David Koes | David Koes | 15 | -0.02 | 0.22 | 0.98 | 0.24 | vina | Smina | Structure-based scoring |
| o3nlu | Mingyue Zheng | Zhaoping Xiong | 15 | 0.17 | 0.20 | 2.25 | 0.20 | Glide xp | Glide-XP | Structure-based scoring |
| pcy26 | Max Totrov | Maxim Totrov | 15 | -0.08 | 0.20 | 0.80 | 0.20 | ICM/APF 3D QSAR | Molsoft ICM | Structure-based scoring |
| pgbuh | Charles L. Brooks III | Xinqiang Ding | 15 | 0.18 | 0.20 | 0.66 | 0.20 | Scoring using AutoDock Vina | AutoDock Vina | Structure-based scoring |
| tdbsk | Alexander D MacKerell Jr. | Sirish Lakkaraju | 15 | 0.19 | 0.16 | 2.34 | 0.42 | SILCS-MC | SILCS (Site Identification by Ligand Competitive Saturation) | Structure-based scoring |
| vskkl | David R. Bevan | Anne Brown | 15 | -0.05 | 0.15 | 3.95 | 0.72 | AutoDock Vina | AutoDock Vina | Structure-based scoring |
| yprv4 | Garland R. Marshall | Flavio Ballante | 15 | -0.30 | 0.17 | 1.09 | 0.19 | FBRHGRM Method 1 | AutoDock Vina, Clusterizer-DockAccessor | Structure-based scoring |