Subject: Can Autodock3.0 reckon iron in?

From: "Mingyue Zheng" <[email-masked]>
Date: Thu, 6 Mar 2003 10:49:53 +0800

Could anyone tell me if Autodock3.0 can reckon iron in ?
The receptor active site concerned includes an iron ,one of putative ways to inhibit the enzyme is that inhibitors may replace a residue ligand to the iron,which gives a complete loss of iron and hence the loss of enzyme activity. Thus I think the interaction between iron and inhibitors can not be ignored.
If can not,which program may do this kind of docking?
Thanks in advance.
Regards.
UTF-8
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                Mingyue Zheng
        Drug Design & Discovery Center
         SIMM,China Acadmy of Science
 294 Tai Yuan Road, Shanghai,200031 P.R.China
             Tel:021-64311833-507
        E-Mail:[email-masked]  
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