Please can you tell me how can I add charge +2 to Zn ion using AutoDock tool or any relevant program?

21 November 2022 1 8K Report

I studying to perform docking for a protein that have metal ion as co-factor.The program notify that zn ion have zero chrage when I prepare receptor in pdbqt format.

Nor Farrah Wahidah Ridzwan

Hi Mojdeh Yousefian ,

You can find a similar question and solution for it here:

https://www.researchgate.net/post/how_to_add_Ni_parameter_in_autodock_42

All the best.

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