From: nan li (nan.kelly.li1986_at_gmail.com)
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.
Nan
This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:56 CST