Dear Amber users,
we have calculated AMBER parameters for the most common phospho-amino
acids in different protonation states and posted the parameter files to
R. Bryce's AMBER parameter database (
http://pharmacy.man.ac.uk/amber).
The OFF and FRCMOD files, deposited in the database, can be used for the
preparation of input files for phosphorylated peptides and proteins with
the leap module of AMBER. A detailed description of the procedures used
for the parameter calculation can be found in a paper that will be
published in the Journal of Molecular Modeling soon.
N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht, AMBER Force Field
Parameters for phosphorylated Amino Acids in different protonation
states: Phosphoserine, Phosphothreonine, Phosphotyrosine and
Phosphohistidine, J. Mol. Model., 2005, in press.
Regards,
Nadine
___________________________________
Abteilung f. Bioinformatik
Institut f. Biochemie
Emil-Fischer-Zentrum
Friedrich-Alexander-Universitaet Erlangen-Nuernberg
Fahrstr. 17
91054 Erlangen
Germany
Tel.: +49-9131-85-24675
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Received on Thu Jun 23 2005 - 15:53:00 PDT
