[gmx-users] Protonation state of phospho-tyrosine in neutral PH

Zheng Ruan zruan1991 at gmail.com
Thu Dec 22 16:53:07 CET 2016

Hi Gromacs Users,

I'm trying to run simulation on a protein with phosphorylated tyrosine
residues. The amber force field parameters (http://research.bmh.
manchester.ac.uk/bryce/amber) provides three different protonation states
of the phospho-tyrosine residue. What is the predominant form of
phospho-tyrosine residue in neutral PH? Is there a reference about the PKa
values associated with each protonation state?

Thank you!

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