Re: [AMBER] Glycam Parameters for O-SIALIC ACID

From: FyD <>
Date: Sat, 25 Jun 2011 07:46:08 +0200

Dear mish,

> I tried to have a look but I can not find if it is parametrized as one
> residue.
> What could be suggested alternative fregmnets which can be joined (from
> GLYCAM_06) to make O-SIALIC ACID residue ?

You might look at examples in R.E.DD.B.
   Gouin et al. J. Org. Chem. 2007, 72, 9032-9045
   Abel et al. J. Phys. Chem. B, 2011, 115, 487–499
   Gouin et al. ChemBioChem, 2010, 11, 1430-1442
   Cezard et al. Phys. Chem. Chem. Phys. 2011, in press.

In these projects you will find information about how to construct new
units for glycoconjugates, and how to set up constraints during the
charge fitting step to generate a new sugar fragment compatible with
previously existing ones.

regards, Francois

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Received on Fri Jun 24 2011 - 23:00:04 PDT
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