Can Autodock3.0 reckon iron in?
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
**********************************************
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:myzheng -AatT- mail.shcnc.ac.cn
**********************************************