ADL: how to parameterise selenium

Riad Schulz riadschulz at web.de
Tue Oct 23 06:34:57 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

_______________________________________________________________________
Jetzt neu! Schützen Sie Ihren PC mit McAfee und WEB.DE. 3 Monate
kostenlos testen. http://www.pc-sicherheit.web.de/startseite/?mc=022220




More information about the autodock mailing list