ADL: Count the metal ions in while docking
catfish.hku at gmail.com
Thu Aug 30 22:13:05 PDT 2007
Did anyone count the metal ions together with the protein in while docking?
I am going to do so but just dont know how to assign the charges
for the ion.
Should I make some QM calculation to assign the charge?
As far as I know, the parameters used by autodock are calibrated with
the experimental data. So, can anyone give me some advices?
Thanks and Regards,
More information about the autodock