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 Post subject: Lipid as a ligand
PostPosted: Thu Oct 22, 2009 2:06 pm 

Joined: Thu Oct 22, 2009 10:05 am
Posts: 1
Helllo:
I am trying to dock a lipid into a protein. does anybody know the best charge and geometry optimization for such a molecule.
Thank you very much.
Patricia


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 Post subject: Re: Lipid as a ligand
PostPosted: Thu Oct 22, 2009 3:02 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 203
Hello,

MMFF optimization and PM6 charges should be fine.

Zsolt


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