ADL: how to parameterise selenium

Riad Schulz riadschulz at
Tue Oct 23 06:34:57 PDT 2007


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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