| Submission ID | Group/PI name | Submitter Name | Number of ligands | Kendalls Tau | Kendalls Tau Error | RMSEc (kcal/mol) | RMSEc Uncertainty | Protocol Name from Protocol File | List of Software Packages Used | Full FE Method? |
|---|---|---|---|---|---|---|---|---|---|---|
| f6een | Julien Michel | Julien Michel | 14 | 0.34 | 0.16 | 0.98 | 0.18 | alchemical free energy protocol with average network analysis same charge | FESetup, NetworkX | Free energy |
| 6xixa | Merck | Yuan Hu | 0 | nan | nan | nan | nan | MMGBSA ranking Prediction from 20 replicates of molecular dynamics simulations | Glide, Gold, Amber-MMGBSA | Structure-based scoring |