[AMBER] Energy contribution of phosphorylated residues

From: Parker de Waal <Parker.deWaal.vai.org>
Date: Thu, 18 Jun 2015 13:57:14 +0000

Hi Everyone,

I'm currently working with a heterodimer protein complex in which one protein is phosphorylated and this interaction has been shown in vitro to be required for dimer formation.

Using MM/PBSA, would it be possible to perform an energy deconvolution to determine the energy contribution of the phosphoserine and the two salt bridges it is forming?

I am familiar with protein-ligand calculations, but in this case it is protein-protein.

Any advice would be greatly appreciated.

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Received on Thu Jun 18 2015 - 07:00:03 PDT
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