Subject: AutoDock3.0:Mg-ion in a protein

From: Susanna P Alho <[email-masked]>
Date: Mon, 5 Jun 2000 14:09:06 +0300 (EET DST)

Hi all,

I'm going to use AutoDock 3.0 to dock a ligand to the binding site of a
protein. I have used the program before, but now there is a Mg2+-ion at
the binding site. Any suggestions about the parameters to use for
magnesium? Any other tips dealing with metal ions in a protein when using
AutoDock? 

Susanna Alho
Pharmacy student
University of Helsinki
Finland
e-mail: [email-masked]
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