11 September 2024 2 8K Report

I have tried many times to dock ubenimex n (Compound CID: 72172) with a protein but every time the ligand breaks into two pieces. Kindly help. i have used chemdraw, 3d sdf file, gaussian fchk file, mol2 file to convert the ligand into pdb file but every time Autodock splits the ligand. Hydrogens and charges were added. ligand is neutral.

More A R Rayasingh's questions See All
Similar questions and discussions