docking_results.xlsx (33.99 kB)
Docking scores for suitable candidates from top 100
All docking scores (Fred ChemGauss4) for those compounds examined from the top 100 matches for candidate ligands.
Some compounds were excluded based on general incompatibility (i.e. non-druglikeness)
Some compounds were excluded based on general incompatibility (i.e. non-druglikeness)