Submission ID | Group/PI name | Submitter Name | Number of ligands | Kendalls Tau | Kendalls Tau Error | RMSD (kcal/mol) | RMSD Uncertainty | Protocol Name from Protocol File | List of Software Packages Used | Full FE Method? |
---|---|---|---|---|---|---|---|---|---|---|
0jz8u | Julien Michel | Julien Michel | 14 | 0.36 | 0.16 | 1.36 | 0.23 | alchemical free energy protocol with average network analysis using same charge compounds | FESetup, NetworkX | Free energy |
x8jt0 | 0 | nan | nan | nan | nan | eTOX ALLIES | eTOX ALLIES | Structure-based scoring | ||
c1nbt | Julien Michel | Julien Michel | 14 | 0.30 | 0.19 | 1.29 | 0.21 | alchemical free energy protocol with average network analysis using same charge compounds and partial charge scaling | FESetup, NetworkX | Free energy |