AMBER Archive (2005)

Subject: AMBER: oxidised methionine residue

From: Megan G (frentello_at_yahoo.com)
Date: Fri Oct 14 2005 - 10:45:21 CDT


Hello all

I'm trying to model a peptide that contains an
oxidised methionine residue. Is there anybody that
has already done this and would be willing to share
their parameters with me? Or, can anybody give me
suggestions as to how to calculate the needed bond
lengths and force constants for the sulfur - oxygen
bond, or suggest a good model system to base an
"educated" guess on? I would appreciate your
assistance with this.

Fren

                
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