Hi, all. Does anybody know wether I have to put a phosphorylated residue in the kinase's activation loop (last example is pdbid 2Y94) or not, when I'm working with protein-inhibitor complex without any type of protein-protein interactions? Or it is necessary only when I'm working with p-p complexes? The maximum time of dynamics is 10 ns. Any suggestions or links will be appreciated! Thank you for reply!
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