Interaction energy definition

From: nan li (
Date: Fri Nov 22 2013 - 14:45:13 CST

Hi all,

I am using pair interaction energy calculation to get the "interaction
energy" between water and protein in a system. I am confusing about the
definition of "interaction energy". Is it the enthalpy of solvation?
DeltaH= Delta H{lattice energy} + Delta H {solvation}.
or is the "interaction energy between water and protein" the mixing
enthalpy DeltaH?

Also, if the interaction energy is for protein-ligand interaction, is the
interaction energy the mixing enthalpy?
Many thanks.


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