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 i
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
