Dear All

I wish to seek your opinion if I got a negative -CDocker Energy (-20.826) but a positive -CDocker Interaction Energy (27.68) between a small molecule with protein, would does  it suggest?

Does it means to docking is unlikely due to high internal strain energy (due to 20.826 CDocker Energy) but it has good binding interaction (since is -27.68), right?

Pls comment.

Thank you

Mai