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.
Dean
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
