Dear AMBER users,
I am interested in the impact of counter ions on globular protein assemblies. I have conducted two MD runs at constant pressure. In one system there are zero counter ions, in the other there are 30 counter ions. I observe an expansion of the protein without counter ions as measured by surface area and radius of gyration as well as an increase in internal hydration. Is it correct to attribute this expansion and hydration to reduced Hofmeister effects in the absence of counter ions? Or is this observation an expected mechanical property of having 30 extra ions in a system? The system with counter ions is measurably more dense. Be that as it may, can you not make an argument that increased solvent density is a model of Hofmeister effects? I would appreciate any of your thoughts on the interpretation of this result.
KB
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Received on Fri Apr 25 2014 - 10:00:02 PDT
