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Re-docking with the co-crystallized ligand showing +ve binding energy in Autodock4

Hello,

I am trying to perform re-docking in Autodock4.2.6 with the co-crystallized ligand. I added hydrogens and Kollman charges to the protein. co-crystallized ligand downloaded from PDB and it is optimized by Gaussian9 using 6-31G. RESP charges were also added to the ligand. The docking results showed positive BE. I couldn't figure out the mistake, unfortunately. What are the reasons for showing +ve BE?

re-docking protein docking
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written by doubtbio • doubtbio

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