ADL: autodock4 prep. receptor with metal ions

Hong Liang hongliang.dal at gmail.com
Tue Nov 29 12:38:25 PST 2011


Dear list,

Is there a practical tutorial demonstrating how to use Autodock 4 docking
ligands into a receptor which has metal ions (such as Zn2+) in the binding
site?

I saw a paper mentioned that,  but it did not provide enough information on
how to prepare the acceptor,  such as protonated stage of His or other
residues coordinated with Zn2+ ions, the bond between Zn and sidechain atom
(existed in pdb file), etc.

Bull. Korean Chem Soc., 2010, 31(12), 3644

Thanks,

Hong


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