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

From: Lachele Foley (Lists) <"Lachele>
Date: Fri, 24 Jun 2011 12:10:41 -0400

>From our point of view, the term "O-sialic acid" is a bit ambiguous.
If you could provide a structure file, that would be helpful (PDB,
mol2, top&crd, chemdraw, etc.).

If we don't already have the residue, the most likely option is that
you will have to generate ensemble-averaged charges for yourself. The
GLYCAM06 paper describes the procedure. We have been developing
procedures for fragment-based derivatization, but we might not have
procedures for your structure.

On Fri, Jun 24, 2011 at 11:21 AM, mish <> wrote:
> Hi :
> 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 ?
> Sincerely
> mish
> _______________________________________________
> AMBER mailing list

:-) Lachele
Lachele Foley
Athens, GA USA
AMBER mailing list
Received on Fri Jun 24 2011 - 09:30:03 PDT
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