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Lipid as a ligand
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Author:  pufspufs [ Thu Oct 22, 2009 2:06 pm ]
Post subject:  Lipid as a ligand

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

Author:  bikadi [ Thu Oct 22, 2009 3:02 pm ]
Post subject:  Re: Lipid as a ligand

Hello,

MMFF optimization and PM6 charges should be fine.

Zsolt

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