23 February 2021 0 6K Report

Hi,

I have a problem when use the CDOCKER protocols of Discovery studio .

I tried to dock the ligand to my protein which arelady have a small molecules at the active site.After preparing protein and ligand, defining binding sites from receptor cavities ,i use the CDOCKER protocols.Except for Top hits=100,Pose Cluster Radius=0.5 ,other parameter is default.

But i got failed results,it says "failed ligands" "No refined poses found for ligand ".

And i adjust the diameter of Binding site,Pose Cluster Radius to 1,and Ligand Partial Charge

Method,but failed.

Can anyone tell me how to solve this problem

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