[AMBER] Files for Charged serine in proteins?

From: Dean Cuebas <deancuebas.missouristate.edu>
Date: Tue, 6 Apr 2010 11:39:04 -0500

Dear all,

Išve looked in the archives and elsewhere, but I havenšt found any
forcefield files for defining a serine residue in a protein with the hydroxy
group unprotonated R-CH2-O(-)

Has anyone done this?

I know that this is "unphysiological" in bulk water, but several active
sites are known that have a highly reactive serine alkoxide ion.

Thanks in advance.

Dr. Dean Cuebas dac012f.missouristate.edu,
Ph 417-836-8567 FAX 417-836-5507
Dept. of Chemistry, Missouri State University
Springfield, Missouri 65897

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Received on Tue Apr 06 2010 - 10:00:02 PDT
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