[gmx-users] Fwd: Phosphorylated serine and threonine residues (Gromacs MD)
swapnilbhujbal18 at gmail.com
Mon Feb 11 14:31:53 CET 2019
I am working with a protein having phosphorylated serine and threonine
residues. I will be performing ligand-protein MD. These phosphorylated
amino acid residues are not located in the active site of protein.
Should I just replace the phosphorylated serine and threonine residues with
serine and threonine before MD preparations? Or shoild I ignore them
because they will not be involved in any interactions with the ligand? Or
do we have different force fields for the phosphorylated residues ?
Your suggestions are highly appreciated.
Mr. Swapnil Bhujbal
School of Medicine,
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