ADL: how to parameterise selenium

Riad Schulz riadschulz at web.de
Wed Oct 24 01:16:47 PDT 2007


Hallo,

I want to do some docking experiments with glutathione peroxidase (pdb: 1gp1) which contains Se-cysteine. 
Se-cystein is part of the active site, so I will need selenium parameters.

My question is:
Is it possible to approximate selenium with sulfur parameters?
If not, where can I get the right parameters for selenium? 

kind regards,
Riad Schulz

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