Topic automatically created for discussing the designs at:
https://covid.postera.ai/covid/submissions/LUO-POS-9931618f
Hi @mc-robinson, you might want to check the assay results on these two inhibitors since LUO-POS-9931618f-2 appears to be what would normally be the less potent enantiomer. I think that LUO-POS-9931618f-1 (a duplicate of PET-UNK-14142a25-1 and I generated the isomeric SMILES for that inhibitor directly from the 3D ligand structure that was used for modelling the binding mode) is actually the more potent enantiomer. I think there may be a similar issue for the enantiomers in the MAT-POS-e48723dc submission.