I am interested in docking metal ions (Cu2+, Ni2+) with surface exposed residues of the proteins. What are the possible tools available online for the analysis?
Hello there is many tools to dock metal ions to protein. I can suggest you autodock, but you need to install it onto your computer.
May be MOE will be able to do it
. please check . not all docking tools can do this
Autodock might be suitable for your case.
dock.compbio.ucsf.edu/
Best
I think that all softwares above suggest very good.
My related answer here may be helpful:
https://www.researchgate.net/post/Is_it_logical_to_use_Cu2_ion_as_receptor_and_a_protein_as_Ligand_assuming_the_protein_is_rigid
PyRx and Chimera should be easier.
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