ADL: small molecule-small molecule docking

surasak chunsrivirot fa833 at
Mon Mar 17 10:47:07 PDT 2008


I am new to docking software and currently trying to find a software that can dock and calculate binding energy of small molecule-small molecule such as a drug molecule and solvent. Can Autodock do this kind of calculation? I've look at the website and it said it can do small molecule-protein and protein-protein docking.

If it can't do this, I would appreciate if you have any suggestions for a software that I should use.

Thank you very much,

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