Dear all,

I have some docking questions using Discovery studio software.

Q1: In our study, the carbohydrate ligands were built in 2D using BIOVIA DRAW 2018 and were converted into 3D in BIOVIA Discovery studio 2018. However, following this process, the unusual carbohydrate ligand structures were found. Any hints or suggestions?

Q2: Before running docking protocol (such as CDOCKER), can we create a constraint (such as glycosidic bond angle and torsion angle) in our structure?

Q3: In addition, after CDOCKER calculations, we were found that the optical rotation of carbohydrates was changed (D-form to L-form). For that, any suggestion on how should I solve this issue?

With kind regards,

John