How do I dock a metal ion to a protein in Schrodinger?

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Abu Turab Naqvi

As per the Schrodinger website, Glide is unable to docking bare metal ions. But it can dock metal complexes i.e., metals with ligands.

(Check https://www.schrodinger.com/kb/565)

Anu Manhas

Indeed, Autodock can perform the binding of a metal ion within protein. You will obtain the favourable interactions formed.

There is an online server " MIB : Metal Ion-Binding site prediction and docking server ". It can predict the binding site and perform docking also. But, it is limited to certain metal ions.

http://bioinfo.cmu.edu.tw/MIB/

Regards